1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine

C17H19Cl2N — CID 115843392

IUPAC1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-2-14(13-6-4-3-5-7-13)17(20)11-12-8-9-15(18)16(19)10-12/h3-10,14,17H,2,11,20H2,1H3
InChIKeyIQRDTEPUACAMSN-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.06
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine

1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine (PubChem CID 115843392) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
PubChem CID115843392
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-2-14(13-6-4-3-5-7-13)17(20)11-12-8-9-15(18)16(19)10-12/h3-10,14,17H,2,11,20H2,1H3
InChIKeyIQRDTEPUACAMSN-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine
CID 115864978
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
[2-(3,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199186
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol
CID 65149130
3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine (CID 115843392) is 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine is CCC(c1ccccc1)C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine?
The InChIKey is IQRDTEPUACAMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-2-14(13-6-4-3-5-7-13)17(20)11-12-8-9-15(18)16(19)10-12/h3-10,14,17H,2,11,20H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine?
1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine has a molecular weight of 308.25 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine is sourced from PubChem (CID 115843392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).