3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine

C23H33N — CID 15365768

IUPAC3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
SMILESCC(CCN(CCC(C)c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C23H33N/c1-19(2)24(17-15-20(3)22-11-7-5-8-12-22)18-16-21(4)23-13-9-6-10-14-23/h5-14,19-21H,15-18H2,1-4H3
InChIKeyDHDOSGVNHJGHOW-UHFFFAOYSA-N
MW323.52 g/mol
LogP6.08
Rot. Bonds9

About 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine

3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine (PubChem CID 15365768) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
PubChem CID15365768
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
SMILESCC(CCN(CCC(C)c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C23H33N/c1-19(2)24(17-15-20(3)22-11-7-5-8-12-22)18-16-21(4)23-13-9-6-10-14-23/h5-14,19-21H,15-18H2,1-4H3
InChIKeyDHDOSGVNHJGHOW-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636
pentan-2-ylbenzene
CID 17627
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
4-chlorobutan-2-ylbenzene
CID 570466
N'-ethyl-N,N-dimethyl-N'-[(3S)-3-phenylbutyl]ethane-1,2-diamine
CID 2059338
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
N-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
CID 143793924
N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
CID 173290484
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
5-chloropentan-2-ylbenzene
CID 524354
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine (CID 15365768) is 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine is CC(CCN(CCC(C)c1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is DHDOSGVNHJGHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-19(2)24(17-15-20(3)22-11-7-5-8-12-22)18-16-21(4)23-13-9-6-10-14-23/h5-14,19-21H,15-18H2,1-4H3.
What are the key properties of 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine?
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 323.52 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 15365768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).