N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine

C19H23Cl2NO2 — CID 4716969

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2NO2/c1-13(2)10-22-11-14-5-4-6-18(23-3)19(14)24-12-15-7-8-16(20)9-17(15)21/h4-9,13,22H,10-12H2,1-3H3
InChIKeyBSQOMAGUDLRLCP-UHFFFAOYSA-N
MW368.30 g/mol
LogP5.33
Rot. Bonds8

About N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 4716969) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID4716969
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2NO2/c1-13(2)10-22-11-14-5-4-6-18(23-3)19(14)24-12-15-7-8-16(20)9-17(15)21/h4-9,13,22H,10-12H2,1-3H3
InChIKeyBSQOMAGUDLRLCP-UHFFFAOYSA-N
XLogP5.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.30
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716967
(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 17211116
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214062
3-butoxy-N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 17207603
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine;hydrochloride
CID 17331509
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine (CID 4716969) is N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine is COc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BSQOMAGUDLRLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c1-13(2)10-22-11-14-5-4-6-18(23-3)19(14)24-12-15-7-8-16(20)9-17(15)21/h4-9,13,22H,10-12H2,1-3H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 368.30 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 4716969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).