1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine

C14H22ClNO — CID 43196151

IUPAC1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNC(CC)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-3-14(16-9-6-10-17-4-2)12-7-5-8-13(15)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3
InChIKeyOIXWXBHPJQARGU-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.81
Rot. Bonds8

About 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine

1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 43196151) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
PubChem CID43196151
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNC(CC)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-3-14(16-9-6-10-17-4-2)12-7-5-8-13(15)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3
InChIKeyOIXWXBHPJQARGU-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
CID 43100874
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971
N-[1-(3-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716760
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
CID 43551886
N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
CID 43750406
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine (CID 43196151) is 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNC(CC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is OIXWXBHPJQARGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-14(16-9-6-10-17-4-2)12-7-5-8-13(15)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine?
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 43196151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).