1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine

C16H17Cl2NO — CID 82710316

IUPAC1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine
SMILESCCC(NOCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-16(13-8-9-14(17)15(18)10-13)19-20-11-12-6-4-3-5-7-12/h3-10,16,19H,2,11H2,1H3
InChIKeyQCTJXJXUJOUIGD-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.17
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine

1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine (PubChem CID 82710316) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine
PubChem CID82710316
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine
SMILESCCC(NOCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-16(13-8-9-14(17)15(18)10-13)19-20-11-12-6-4-3-5-7-12/h3-10,16,19H,2,11H2,1H3
InChIKeyQCTJXJXUJOUIGD-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.17
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-(3,4-dichlorophenyl)-N-(1-phenylpropan-2-yl)propan-1-amine
CID 63462746
1-(3,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 60872413
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
CID 82709043
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
CID 124575121
3,3-dimethyl-1-phenyl-N-phenylmethoxybutan-1-amine
CID 82712727
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
1-(3,4-dichlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 63449080
3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine
CID 166076955
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine (CID 82710316) is 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine is CCC(NOCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine?
The InChIKey is QCTJXJXUJOUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-16(13-8-9-14(17)15(18)10-13)19-20-11-12-6-4-3-5-7-12/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine?
1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine has a molecular weight of 310.22 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine is sourced from PubChem (CID 82710316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).