2-(3-cyclopropylphenyl)-2-methylpropan-1-amine

C13H19N — CID 155943933

IUPAC2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C13H19N/c1-13(2,9-14)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyOFWBYIOOCGSLQO-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds3

About 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine

2-(3-cyclopropylphenyl)-2-methylpropan-1-amine (PubChem CID 155943933) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
PubChem CID155943933
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C13H19N/c1-13(2,9-14)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10H,6-7,9,14H2,1-2H3
InChIKeyOFWBYIOOCGSLQO-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114607219
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
2-methyl-2-[3-(oxan-4-yl)phenyl]propan-1-ol
CID 117341023
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
2-[3-(1,1-difluoroethyl)phenyl]-2-methylpropan-1-amine
CID 116992430
2-methyl-2-[3-(oxetan-3-yl)phenyl]propan-1-ol
CID 117295101
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79984527
1-tert-butyl-3-[(3-cyclopropylphenyl)-difluoromethyl]-2-fluorobenzene
CID 177124857
2-[3-(thian-4-yl)phenyl]propan-2-ol
CID 117345675

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine (CID 155943933) is 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine is CC(C)(CN)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine?
The InChIKey is OFWBYIOOCGSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2,9-14)12-5-3-4-11(8-12)10-6-7-10/h3-5,8,10H,6-7,9,14H2,1-2H3.
What are the key properties of 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine?
2-(3-cyclopropylphenyl)-2-methylpropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 155943933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).