[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine

C17H22N2 — CID 150028791

IUPAC[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine
SMILESCC(C)(c1cccc(CN)c1)c1ccccc1CN
InChIInChI=1S/C17H22N2/c1-17(2,15-8-5-6-13(10-15)11-18)16-9-4-3-7-14(16)12-19/h3-10H,11-12,18-19H2,1-2H3
InChIKeyDGUSDOPUVNJRAL-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.93
Rot. Bonds4

About [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine

[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine (PubChem CID 150028791) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine
PubChem CID150028791
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine
SMILESCC(C)(c1cccc(CN)c1)c1ccccc1CN
InChIInChI=1S/C17H22N2/c1-17(2,15-8-5-6-13(10-15)11-18)16-9-4-3-7-14(16)12-19/h3-10H,11-12,18-19H2,1-2H3
InChIKeyDGUSDOPUVNJRAL-UHFFFAOYSA-N
XLogP2.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(3-fluorophenyl)propan-2-yl]phenyl]methanamine
CID 151790287
[3-(2-chloropropan-2-yl)phenyl]methanamine
CID 174940258
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
2,2-dimethylpropane;phenylmethanamine
CID 158787980
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115036313
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326652
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
phenylmethanamine
CID 19864074
2-(aminomethyl)-4-(2-phenylpropan-2-yl)phenol
CID 12652121

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine?
The IUPAC name of [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine (CID 150028791) is [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine is CC(C)(c1cccc(CN)c1)c1ccccc1CN.
What is the InChIKey of [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine?
The InChIKey is DGUSDOPUVNJRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2,15-8-5-6-13(10-15)11-18)16-9-4-3-7-14(16)12-19/h3-10H,11-12,18-19H2,1-2H3.
What are the key properties of [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine?
[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine is sourced from PubChem (CID 150028791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).