N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine

C23H25ClN2O3 — CID 66526459

IUPACN-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCOc1cccc(CNCCCOc2ccccn2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O3/c1-27-21-7-4-6-19(23(21)29-17-18-9-11-20(24)12-10-18)16-25-13-5-15-28-22-8-2-3-14-26-22/h2-4,6-12,14,25H,5,13,15-17H2,1H3
InChIKeyMMZJXMKIFLXRSK-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.88
Rot. Bonds11

About N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine

N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 66526459) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID66526459
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCOc1cccc(CNCCCOc2ccccn2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O3/c1-27-21-7-4-6-19(23(21)29-17-18-9-11-20(24)12-10-18)16-25-13-5-15-28-22-8-2-3-14-26-22/h2-4,6-12,14,25H,5,13,15-17H2,1H3
InChIKeyMMZJXMKIFLXRSK-UHFFFAOYSA-N
XLogP4.88
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526323
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526346
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17291067
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 124869858
N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17214963
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66529856
3-(1H-benzimidazol-2-yl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528649
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716967

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine (CID 66526459) is N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine is COc1cccc(CNCCCOc2ccccn2)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is MMZJXMKIFLXRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-27-21-7-4-6-19(23(21)29-17-18-9-11-20(24)12-10-18)16-25-13-5-15-28-22-8-2-3-14-26-22/h2-4,6-12,14,25H,5,13,15-17H2,1H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 412.92 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 66526459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).