3-(2-tert-butylphenyl)propan-1-amine

C13H21N — CID 84772141

IUPAC3-(2-tert-butylphenyl)propan-1-amine
SMILESCC(C)(C)c1ccccc1CCCN
InChIInChI=1S/C13H21N/c1-13(2,3)12-9-5-4-7-11(12)8-6-10-14/h4-5,7,9H,6,8,10,14H2,1-3H3
InChIKeyNIEWUIAUSDBBTI-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.88
Rot. Bonds3

About 3-(2-tert-butylphenyl)propan-1-amine

3-(2-tert-butylphenyl)propan-1-amine (PubChem CID 84772141) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylphenyl)propan-1-amine
PubChem CID84772141
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-(2-tert-butylphenyl)propan-1-amine
SMILESCC(C)(C)c1ccccc1CCCN
InChIInChI=1S/C13H21N/c1-13(2,3)12-9-5-4-7-11(12)8-6-10-14/h4-5,7,9H,6,8,10,14H2,1-3H3
InChIKeyNIEWUIAUSDBBTI-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(1,1-difluoroethyl)phenyl]butan-1-amine
CID 117304302
3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-1-amine
CID 84729115
1-(2-tert-butylphenyl)-2-methylpropan-2-amine
CID 84778784
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
bis[2-(2-tert-butylphenyl)ethyl] carbonate
CID 67162129
(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
CID 55295656
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
2-(2-octylphenyl)propan-2-amine;hydrobromide
CID 173314591
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
CID 117110840
1-(2-tert-butylphenyl)-N-iodomethanamine
CID 166969969
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)propan-1-amine?
The IUPAC name of 3-(2-tert-butylphenyl)propan-1-amine (CID 84772141) is 3-(2-tert-butylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-tert-butylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-tert-butylphenyl)propan-1-amine is CC(C)(C)c1ccccc1CCCN.
What is the InChIKey of 3-(2-tert-butylphenyl)propan-1-amine?
The InChIKey is NIEWUIAUSDBBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-13(2,3)12-9-5-4-7-11(12)8-6-10-14/h4-5,7,9H,6,8,10,14H2,1-3H3.
What are the key properties of 3-(2-tert-butylphenyl)propan-1-amine?
3-(2-tert-butylphenyl)propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenyl)propan-1-amine is sourced from PubChem (CID 84772141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).