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

C14H21NO — CID 43635472

IUPAC2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
SMILESCc1cccc(C2CC(NC(C)CO)C2)c1
InChIInChI=1S/C14H21NO/c1-10-4-3-5-12(6-10)13-7-14(8-13)15-11(2)9-16/h3-6,11,13-16H,7-9H2,1-2H3
InChIKeyQUVNWNDCIZQVAZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.21
Rot. Bonds4

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

2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol (PubChem CID 43635472) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
PubChem CID43635472
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
SMILESCc1cccc(C2CC(NC(C)CO)C2)c1
InChIInChI=1S/C14H21NO/c1-10-4-3-5-12(6-10)13-7-14(8-13)15-11(2)9-16/h3-6,11,13-16H,7-9H2,1-2H3
InChIKeyQUVNWNDCIZQVAZ-UHFFFAOYSA-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

(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104530209
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 104530239

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol?
The IUPAC name of 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol (CID 43635472) is 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol?
The canonical SMILES for 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol is Cc1cccc(C2CC(NC(C)CO)C2)c1.
What is the InChIKey of 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol?
The InChIKey is QUVNWNDCIZQVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-3-5-12(6-10)13-7-14(8-13)15-11(2)9-16/h3-6,11,13-16H,7-9H2,1-2H3.
What are the key properties of 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol?
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-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 2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol is sourced from PubChem (CID 43635472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).