1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine

C16H25N — CID 113489913

IUPAC1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccccc1[C@H](C)NC(C)CC1CCC1
InChIInChI=1S/C16H25N/c1-12-7-4-5-10-16(12)14(3)17-13(2)11-15-8-6-9-15/h4-5,7,10,13-15,17H,6,8-9,11H2,1-3H3/t13?,14-/m0/s1
InChIKeyPRUNCCWRFAPFPI-KZUDCZAMSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds5

About 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine

1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine (PubChem CID 113489913) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
PubChem CID113489913
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccccc1[C@H](C)NC(C)CC1CCC1
InChIInChI=1S/C16H25N/c1-12-7-4-5-10-16(12)14(3)17-13(2)11-15-8-6-9-15/h4-5,7,10,13-15,17H,6,8-9,11H2,1-3H3/t13?,14-/m0/s1
InChIKeyPRUNCCWRFAPFPI-KZUDCZAMSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine (CID 113489913) is 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine is Cc1ccccc1[C@H](C)NC(C)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine?
The InChIKey is PRUNCCWRFAPFPI-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-4-5-10-16(12)14(3)17-13(2)11-15-8-6-9-15/h4-5,7,10,13-15,17H,6,8-9,11H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine?
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 113489913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).