(3-tert-butyl-4-methylphenyl)methanamine

C12H19N — CID 59108911

IUPAC(3-tert-butyl-4-methylphenyl)methanamine
SMILESCc1ccc(CN)cc1C(C)(C)C
InChIInChI=1S/C12H19N/c1-9-5-6-10(8-13)7-11(9)12(2,3)4/h5-7H,8,13H2,1-4H3
InChIKeyGHBHXOHNTUWNIU-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds1

About (3-tert-butyl-4-methylphenyl)methanamine

(3-tert-butyl-4-methylphenyl)methanamine (PubChem CID 59108911) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3-tert-butyl-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-tert-butyl-4-methylphenyl)methanamine
PubChem CID59108911
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3-tert-butyl-4-methylphenyl)methanamine
SMILESCc1ccc(CN)cc1C(C)(C)C
InChIInChI=1S/C12H19N/c1-9-5-6-10(8-13)7-11(9)12(2,3)4/h5-7H,8,13H2,1-4H3
InChIKeyGHBHXOHNTUWNIU-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83939168
2-tert-butyl-4-(3-chloropropyl)-1-methylbenzene
CID 83939152
(4-tert-butyl-3-methoxyphenyl)methanamine
CID 82669944
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
4-(3-tert-butyl-4-methylphenyl)butanenitrile
CID 83939219
4-(aminomethyl)-2-methylaniline
CID 18727732
1-(3-tert-butyl-4-methylphenyl)heptane-3,4-diol
CID 83939274
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671
3-tert-butyl-4-methylphenol
CID 13130216
[3-methyl-4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 66479645

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-methylphenyl)methanamine?
The IUPAC name of (3-tert-butyl-4-methylphenyl)methanamine (CID 59108911) is (3-tert-butyl-4-methylphenyl)methanamine.
What is the SMILES notation for (3-tert-butyl-4-methylphenyl)methanamine?
The canonical SMILES for (3-tert-butyl-4-methylphenyl)methanamine is Cc1ccc(CN)cc1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-4-methylphenyl)methanamine?
The InChIKey is GHBHXOHNTUWNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-5-6-10(8-13)7-11(9)12(2,3)4/h5-7H,8,13H2,1-4H3.
What are the key properties of (3-tert-butyl-4-methylphenyl)methanamine?
(3-tert-butyl-4-methylphenyl)methanamine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-methylphenyl)methanamine is sourced from PubChem (CID 59108911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).