[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine

C13H21N — CID 115018814

IUPAC[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
SMILESCC(c1cccc(CN)c1)C(C)(C)C
InChIInChI=1S/C13H21N/c1-10(13(2,3)4)12-7-5-6-11(8-12)9-14/h5-8,10H,9,14H2,1-4H3
InChIKeyCWWHEVAXTQCHLL-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.29
Rot. Bonds2

About [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine

[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine (PubChem CID 115018814) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
PubChem CID115018814
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
SMILESCC(c1cccc(CN)c1)C(C)(C)C
InChIInChI=1S/C13H21N/c1-10(13(2,3)4)12-7-5-6-11(8-12)9-14/h5-8,10H,9,14H2,1-4H3
InChIKeyCWWHEVAXTQCHLL-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
CID 83856265
[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate
CID 174531386
1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
CID 170817590
2,2-dimethylpropane;phenylmethanamine
CID 158787980
1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 116907106
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine?
The IUPAC name of [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine (CID 115018814) is [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine is CC(c1cccc(CN)c1)C(C)(C)C.
What is the InChIKey of [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine?
The InChIKey is CWWHEVAXTQCHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(13(2,3)4)12-7-5-6-11(8-12)9-14/h5-8,10H,9,14H2,1-4H3.
What are the key properties of [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine?
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine has a molecular weight of 191.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 115018814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).