1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine

C18H22ClNO — CID 43673993

IUPAC1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCOc1ccccc1CNC(CC)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-17(14-9-7-10-16(19)12-14)20-13-15-8-5-6-11-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyLKILWHWNGSWYTI-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.98
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 43673993) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
PubChem CID43673993
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
SMILESCCOc1ccccc1CNC(CC)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-17(14-9-7-10-16(19)12-14)20-13-15-8-5-6-11-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyLKILWHWNGSWYTI-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-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
2-chloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 115904752
2,4-dichloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 43674065
2-[2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81362252
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine (CID 43673993) is 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine is CCOc1ccccc1CNC(CC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is LKILWHWNGSWYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-17(14-9-7-10-16(19)12-14)20-13-15-8-5-6-11-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine?
1-(3-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-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43673993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).