N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine

C22H23ClN2O2 — CID 66526352

IUPACN-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESCc1ccccc1COc1ccc(Cl)cc1CNCCOc1ccccn1
InChIInChI=1S/C22H23ClN2O2/c1-17-6-2-3-7-18(17)16-27-21-10-9-20(23)14-19(21)15-24-12-13-26-22-8-4-5-11-25-22/h2-11,14,24H,12-13,15-16H2,1H3
InChIKeyFZMBKZSIPXCTHA-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.79
Rot. Bonds9

About N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine

N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66526352) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66526352
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
SMILESCc1ccccc1COc1ccc(Cl)cc1CNCCOc1ccccn1
InChIInChI=1S/C22H23ClN2O2/c1-17-6-2-3-7-18(17)16-27-21-10-9-20(23)14-19(21)15-24-12-13-26-22-8-4-5-11-25-22/h2-11,14,24H,12-13,15-16H2,1H3
InChIKeyFZMBKZSIPXCTHA-UHFFFAOYSA-N
XLogP4.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526751
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525983
2-[4-chloro-2-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66526372
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66536702
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525916
N-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525914
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine (CID 66526352) is N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is Cc1ccccc1COc1ccc(Cl)cc1CNCCOc1ccccn1.
What is the InChIKey of N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is FZMBKZSIPXCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-17-6-2-3-7-18(17)16-27-21-10-9-20(23)14-19(21)15-24-12-13-26-22-8-4-5-11-25-22/h2-11,14,24H,12-13,15-16H2,1H3.
What are the key properties of N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine?
N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 382.89 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66526352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).