1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine

C18H22ClNO — CID 43234899

IUPAC1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCOc1ccccc1CNC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-17(14-9-11-16(19)12-10-14)20-13-15-7-5-6-8-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyHMBLYVCOPYVPDY-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.98
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine

1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 43234899) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
PubChem CID43234899
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCOc1ccccc1CNC(CC)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-17(14-9-11-16(19)12-10-14)20-13-15-7-5-6-8-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyHMBLYVCOPYVPDY-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43673993
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
3-[[1-(4-chlorophenyl)propylamino]methyl]benzene-1,2-diol
CID 61318879
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 43221588
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717038
(2S)-N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726708
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine (CID 43234899) is 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine is CCOc1ccccc1CNC(CC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is HMBLYVCOPYVPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-17(14-9-11-16(19)12-10-14)20-13-15-7-5-6-8-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43234899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).