N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine

C19H24ClN — CID 43110456

IUPACN-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
SMILESCCC(NC(C)CCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-3-19(17-10-7-11-18(20)14-17)21-15(2)12-13-16-8-5-4-6-9-16/h4-11,14-15,19,21H,3,12-13H2,1-2H3
InChIKeyREWGVMHIPBACFJ-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.40
Rot. Bonds7

About N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine

N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine (PubChem CID 43110456) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
PubChem CID43110456
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
SMILESCCC(NC(C)CCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H24ClN/c1-3-19(17-10-7-11-18(20)14-17)21-15(2)12-13-16-8-5-4-6-9-16/h4-11,14-15,19,21H,3,12-13H2,1-2H3
InChIKeyREWGVMHIPBACFJ-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43093621
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
CID 63260675
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine (CID 43110456) is N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine is CCC(NC(C)CCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine?
The InChIKey is REWGVMHIPBACFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-19(17-10-7-11-18(20)14-17)21-15(2)12-13-16-8-5-4-6-9-16/h4-11,14-15,19,21H,3,12-13H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine?
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine has a molecular weight of 301.86 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 43110456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).