[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine

C18H23N — CID 116926181

IUPAC[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine
SMILESCC(C)Cc1ccc(Cc2cccc(CN)c2)cc1
InChIInChI=1S/C18H23N/c1-14(2)10-15-6-8-16(9-7-15)11-17-4-3-5-18(12-17)13-19/h3-9,12,14H,10-11,13,19H2,1-2H3
InChIKeyWLUDLYDIHZNSSO-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.93
Rot. Bonds5

About [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine

[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine (PubChem CID 116926181) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine
PubChem CID116926181
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine
SMILESCC(C)Cc1ccc(Cc2cccc(CN)c2)cc1
InChIInChI=1S/C18H23N/c1-14(2)10-15-6-8-16(9-7-15)11-17-4-3-5-18(12-17)13-19/h3-9,12,14H,10-11,13,19H2,1-2H3
InChIKeyWLUDLYDIHZNSSO-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[[3-(2-methylpropyl)phenyl]methyl]benzene
CID 178142116
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
CID 116545403
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
(3-propan-2-ylphenyl)methanamine
CID 21085835
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine?
The IUPAC name of [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine (CID 116926181) is [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine is CC(C)Cc1ccc(Cc2cccc(CN)c2)cc1.
What is the InChIKey of [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine?
The InChIKey is WLUDLYDIHZNSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(2)10-15-6-8-16(9-7-15)11-17-4-3-5-18(12-17)13-19/h3-9,12,14H,10-11,13,19H2,1-2H3.
What are the key properties of [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine?
[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine is sourced from PubChem (CID 116926181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).