1-[4-(3-phenylpropyl)phenyl]propan-2-amine

C18H23N — CID 10610912

IUPAC1-[4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-15(19)14-18-12-10-17(11-13-18)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,15H,5,8-9,14,19H2,1H3
InChIKeyOIVQZTSVUCKKLN-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.75
Rot. Bonds6

About 1-[4-(3-phenylpropyl)phenyl]propan-2-amine

1-[4-(3-phenylpropyl)phenyl]propan-2-amine (PubChem CID 10610912) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[4-(3-phenylpropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-phenylpropyl)phenyl]propan-2-amine
PubChem CID10610912
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-[4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(CCCc2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-15(19)14-18-12-10-17(11-13-18)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,15H,5,8-9,14,19H2,1H3
InChIKeyOIVQZTSVUCKKLN-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenylpropyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-phenylpropyl)phenyl]propan-2-amine (CID 10610912) is 1-[4-(3-phenylpropyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-phenylpropyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-phenylpropyl)phenyl]propan-2-amine is CC(N)Cc1ccc(CCCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(3-phenylpropyl)phenyl]propan-2-amine?
The InChIKey is OIVQZTSVUCKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-15(19)14-18-12-10-17(11-13-18)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,15H,5,8-9,14,19H2,1H3.
What are the key properties of 1-[4-(3-phenylpropyl)phenyl]propan-2-amine?
1-[4-(3-phenylpropyl)phenyl]propan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenylpropyl)phenyl]propan-2-amine is sourced from PubChem (CID 10610912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).