(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride

C15H23Cl2NO — CID 139996809

IUPAC(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@@H](N)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-10(2)13(18)14(17)15(8-3-9-15)11-4-6-12(16)7-5-11;/h4-7,10,13-14,18H,3,8-9,17H2,1-2H3;1H/t13-,14+;/m0./s1
InChIKeyTXNCKOMEQWBSNG-LMRHVHIWSA-N
MW304.26 g/mol
LogP3.53
Rot. Bonds4

About (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride

(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride (PubChem CID 139996809) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
PubChem CID139996809
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@@H](N)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-10(2)13(18)14(17)15(8-3-9-15)11-4-6-12(16)7-5-11;/h4-7,10,13-14,18H,3,8-9,17H2,1-2H3;1H/t13-,14+;/m0./s1
InChIKeyTXNCKOMEQWBSNG-LMRHVHIWSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
CID 91613724
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
CID 59908351
4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4R)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4S)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 161212777
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride
CID 46196257
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
CID 68974773
1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
CID 84728475
(S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol
CID 71522267
3-[1-(4-chlorophenyl)cyclobutyl]-5-methylhexan-1-amine;2-methylpropane
CID 143085896

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride?
The IUPAC name of (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride (CID 139996809) is (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride?
The canonical SMILES for (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride is CC(C)[C@H](O)[C@@H](N)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride?
The InChIKey is TXNCKOMEQWBSNG-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-10(2)13(18)14(17)15(8-3-9-15)11-4-6-12(16)7-5-11;/h4-7,10,13-14,18H,3,8-9,17H2,1-2H3;1H/t13-,14+;/m0./s1.
What are the key properties of (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride?
(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 139996809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).