(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium

C15H17ClN+ — CID 6948605

IUPAC(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h2-10,12,17H,11H2,1H3/p+1/t12-/m1/s1
InChIKeyLOSJSCRCNLVTTA-GFCCVEGCSA-O
MW246.76 g/mol
LogP3.16
Rot. Bonds4

About (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium

(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium (PubChem CID 6948605) has the molecular formula C15H17ClN+ and a molecular weight of 246.76 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium
PubChem CID6948605
Molecular FormulaC15H17ClN+
Molecular Weight246.76 g/mol
Exact Mass246.10
IUPAC Name(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h2-10,12,17H,11H2,1H3/p+1/t12-/m1/s1
InChIKeyLOSJSCRCNLVTTA-GFCCVEGCSA-O
XLogP3.16
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311574
(4-ethylphenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 7994193
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
(3-chloro-4,5-dimethoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7311517
(5-bromo-2-methoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 7311451
[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7148326
[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride
CID 11078321
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7135735
3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 95168121
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium (CID 6948605) is (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium?
The InChIKey is LOSJSCRCNLVTTA-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H16ClN/c1-12(13-7-3-2-4-8-13)17-11-14-9-5-6-10-15(14)16/h2-10,12,17H,11H2,1H3/p+1/t12-/m1/s1.
What are the key properties of (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium?
(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium has a molecular weight of 246.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 6948605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).