(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol

C11H16ClNO — CID 171204447

IUPAC(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
SMILESCc1ccc([C@H](N)CCCO)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-4-5-9(7-10(8)12)11(13)3-2-6-14/h4-5,7,11,14H,2-3,6,13H2,1H3/t11-/m1/s1
InChIKeyXVJAWQNSJWAMKH-LLVKDONJSA-N
MW213.71 g/mol
LogP2.42
Rot. Bonds4

About (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol

(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol (PubChem CID 171204447) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
PubChem CID171204447
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
SMILESCc1ccc([C@H](N)CCCO)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-4-5-9(7-10(8)12)11(13)3-2-6-14/h4-5,7,11,14H,2-3,6,13H2,1H3/t11-/m1/s1
InChIKeyXVJAWQNSJWAMKH-LLVKDONJSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-5-methylhexan-1-amine
CID 105028693
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
(1R)-1-(3-chloro-4-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171204415
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
CID 171203024
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol (CID 171204447) is (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol is Cc1ccc([C@H](N)CCCO)cc1Cl.
What is the InChIKey of (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol?
The InChIKey is XVJAWQNSJWAMKH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-4-5-9(7-10(8)12)11(13)3-2-6-14/h4-5,7,11,14H,2-3,6,13H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol?
(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 171204447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).