1-(3-chlorophenyl)-N-methoxypropan-1-amine

C10H14ClNO — CID 82707450

IUPAC1-(3-chlorophenyl)-N-methoxypropan-1-amine
SMILESCCC(NOC)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-3-10(12-13-2)8-5-4-6-9(11)7-8/h4-7,10,12H,3H2,1-2H3
InChIKeyFZHYGMLOBOUPJW-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.94
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methoxypropan-1-amine

1-(3-chlorophenyl)-N-methoxypropan-1-amine (PubChem CID 82707450) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methoxypropan-1-amine
PubChem CID82707450
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chlorophenyl)-N-methoxypropan-1-amine
SMILESCCC(NOC)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-3-10(12-13-2)8-5-4-6-9(11)7-8/h4-7,10,12H,3H2,1-2H3
InChIKeyFZHYGMLOBOUPJW-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 82720395
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
N-[1-(3-chlorophenyl)propyl]pent-1-yn-3-amine
CID 106224494
(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methoxypropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methoxypropan-1-amine (CID 82707450) is 1-(3-chlorophenyl)-N-methoxypropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methoxypropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methoxypropan-1-amine is CCC(NOC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methoxypropan-1-amine?
The InChIKey is FZHYGMLOBOUPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-10(12-13-2)8-5-4-6-9(11)7-8/h4-7,10,12H,3H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methoxypropan-1-amine?
1-(3-chlorophenyl)-N-methoxypropan-1-amine has a molecular weight of 199.68 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methoxypropan-1-amine is sourced from PubChem (CID 82707450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).