1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine

C18H23N — CID 116543879

IUPAC1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
SMILESCC(C)Cc1cccc(C(N)Cc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-14(2)11-16-9-6-10-17(12-16)18(19)13-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,19H2,1-2H3
InChIKeyGJWNCZJXKWUNKD-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.13
Rot. Bonds5

About 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine

1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine (PubChem CID 116543879) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
PubChem CID116543879
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
SMILESCC(C)Cc1cccc(C(N)Cc2ccccc2)c1
InChIInChI=1S/C18H23N/c1-14(2)11-16-9-6-10-17(12-16)18(19)13-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,19H2,1-2H3
InChIKeyGJWNCZJXKWUNKD-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116661191
ethane;2-methylpropylbenzene
CID 162200929
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
3-[(1R)-1-amino-2-phenylethyl]benzonitrile
CID 118518493
2-(4-bromophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544590
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine (CID 116543879) is 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine is CC(C)Cc1cccc(C(N)Cc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine?
The InChIKey is GJWNCZJXKWUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(2)11-16-9-6-10-17(12-16)18(19)13-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,19H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine?
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine is sourced from PubChem (CID 116543879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).