(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride

C10H16ClN — CID 141121906

IUPAC(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
SMILESC[C@@H](c1ccccc1)N(C)C.Cl
InChIInChI=1S/C10H15N.ClH/c1-9(11(2)3)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/t9-;/m0./s1
InChIKeyBVWBACQXDIZOBP-FVGYRXGTSA-N
MW185.70 g/mol
LogP2.73
Rot. Bonds2

About (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride

(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride (PubChem CID 141121906) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
PubChem CID141121906
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
SMILESC[C@@H](c1ccccc1)N(C)C.Cl
InChIInChI=1S/C10H15N.ClH/c1-9(11(2)3)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/t9-;/m0./s1
InChIKeyBVWBACQXDIZOBP-FVGYRXGTSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 15113036
(1S)-N-methyl-1-phenyl-N-(trimethylsilylmethyl)ethanamine
CID 141001735
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
methyl(1-phenylethyl)cyanamide
CID 117029364
methyl(1-phenylethyl)carbamic acid
CID 67062794
N',2,2-trimethyl-N'-(1-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928713

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride?
The IUPAC name of (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride (CID 141121906) is (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride.
What is the SMILES notation for (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride?
The canonical SMILES for (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride is C[C@@H](c1ccccc1)N(C)C.Cl.
What is the InChIKey of (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride?
The InChIKey is BVWBACQXDIZOBP-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H15N.ClH/c1-9(11(2)3)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride?
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride has a molecular weight of 185.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 141121906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).