(2R)-2-phenylhexan-2-amine;hydrochloride

C12H20ClN — CID 53487309

IUPAC(2R)-2-phenylhexan-2-amine;hydrochloride
SMILESCCCC[C@@](C)(N)c1ccccc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-3-4-10-12(2,13)11-8-6-5-7-9-11;/h5-9H,3-4,10,13H2,1-2H3;1H/t12-;/m1./s1
InChIKeyVZVLIRUYOPOZKB-UTONKHPSSA-N
MW213.75 g/mol
LogP3.47
Rot. Bonds4

About (2R)-2-phenylhexan-2-amine;hydrochloride

(2R)-2-phenylhexan-2-amine;hydrochloride (PubChem CID 53487309) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is (2R)-2-phenylhexan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-phenylhexan-2-amine;hydrochloride
PubChem CID53487309
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name(2R)-2-phenylhexan-2-amine;hydrochloride
SMILESCCCC[C@@](C)(N)c1ccccc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-3-4-10-12(2,13)11-8-6-5-7-9-11;/h5-9H,3-4,10,13H2,1-2H3;1H/t12-;/m1./s1
InChIKeyVZVLIRUYOPOZKB-UTONKHPSSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-phenylhexan-2-amine
CID 10889241
2-phenylicosan-2-amine;hydrochloride
CID 173065845
2-phenyldecan-2-amine
CID 63408050
1,1-diphenylpentan-1-amine
CID 10263654
1,1-diphenylhexan-1-amine
CID 20568221
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
1,1-diphenyldodecan-1-amine
CID 19925745
(3,3-dimethyl-2-phenylheptan-2-yl)benzene
CID 139749587
tert-butylbenzene;hexane
CID 175254424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylhexan-2-amine;hydrochloride?
The IUPAC name of (2R)-2-phenylhexan-2-amine;hydrochloride (CID 53487309) is (2R)-2-phenylhexan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-2-phenylhexan-2-amine;hydrochloride?
The canonical SMILES for (2R)-2-phenylhexan-2-amine;hydrochloride is CCCC[C@@](C)(N)c1ccccc1.Cl.
What is the InChIKey of (2R)-2-phenylhexan-2-amine;hydrochloride?
The InChIKey is VZVLIRUYOPOZKB-UTONKHPSSA-N. The full InChI is InChI=1S/C12H19N.ClH/c1-3-4-10-12(2,13)11-8-6-5-7-9-11;/h5-9H,3-4,10,13H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-2-phenylhexan-2-amine;hydrochloride?
(2R)-2-phenylhexan-2-amine;hydrochloride has a molecular weight of 213.75 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylhexan-2-amine;hydrochloride is sourced from PubChem (CID 53487309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).