(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol

C14H21NO — CID 93252952

IUPAC(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
SMILESCc1ccc(C2CC(NC[C@H](C)O)C2)cc1
InChIInChI=1S/C14H21NO/c1-10-3-5-12(6-4-10)13-7-14(8-13)15-9-11(2)16/h3-6,11,13-16H,7-9H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyVQUXKDZLPDNKKB-XGNXJENSSA-N
MW219.33 g/mol
LogP2.21
Rot. Bonds4

About (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol

(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol (PubChem CID 93252952) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
PubChem CID93252952
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
SMILESCc1ccc(C2CC(NC[C@H](C)O)C2)cc1
InChIInChI=1S/C14H21NO/c1-10-3-5-12(6-4-10)13-7-14(8-13)15-9-11(2)16/h3-6,11,13-16H,7-9H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyVQUXKDZLPDNKKB-XGNXJENSSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
N-(2-methoxypropyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 102696984
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
3-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutan-1-amine
CID 62994243
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66005603
N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632713
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol (CID 93252952) is (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol is Cc1ccc(C2CC(NC[C@H](C)O)C2)cc1.
What is the InChIKey of (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol?
The InChIKey is VQUXKDZLPDNKKB-XGNXJENSSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-3-5-12(6-4-10)13-7-14(8-13)15-9-11(2)16/h3-6,11,13-16H,7-9H2,1-2H3/t11-,13?,14?/m0/s1.
What are the key properties of (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol?
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol is sourced from PubChem (CID 93252952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).