(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride

C14H16ClN — CID 54594942

IUPAC(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C14H15N.ClH/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-11H,15H2,1H3;1H/t11-;/m0./s1
InChIKeyKATCFWMBDRASHY-MERQFXBCSA-N
MW233.74 g/mol
LogP3.80
Rot. Bonds2

About (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride

(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride (PubChem CID 54594942) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
PubChem CID54594942
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C14H15N.ClH/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-11H,15H2,1H3;1H/t11-;/m0./s1
InChIKeyKATCFWMBDRASHY-MERQFXBCSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(1R)-1-phenylethanamine
CID 142977390
1-phenylethanamine;toluene
CID 143029898
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
4-(4-phenylphenyl)pentan-2-amine
CID 65456648
benzene-1,2-diol;1-phenylethanamine
CID 174442381
3-[4-[4-(1-aminoethyl)phenyl]phenyl]-2-methylpropanoic acid
CID 166996996
1-(4-benzylphenyl)ethanamine
CID 3962419
2-(4-phenylphenyl)pentan-3-amine
CID 79308070
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
methanol;molecular fluorine;1-phenylethanamine;hydrate
CID 144635435

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride (CID 54594942) is (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride is C[C@H](N)c1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride?
The InChIKey is KATCFWMBDRASHY-MERQFXBCSA-N. The full InChI is InChI=1S/C14H15N.ClH/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-11H,15H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride?
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-phenylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 54594942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).