(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine

C11H16ClN — CID 59871381

IUPAC(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C11H16ClN/c1-9(13(2)3)8-10-4-6-11(12)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m1/s1
InChIKeyDUZIUJWBWTXQGI-SECBINFHSA-N
MW197.71 g/mol
LogP2.83
Rot. Bonds3

About (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine

(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine (PubChem CID 59871381) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
PubChem CID59871381
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C11H16ClN/c1-9(13(2)3)8-10-4-6-11(12)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m1/s1
InChIKeyDUZIUJWBWTXQGI-SECBINFHSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
1-[4-(2,3-dichlorophenyl)phenyl]-N,N-dimethylpropan-2-amine
CID 173298108
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
2-[1-(4-chlorophenyl)propan-2-yl-propan-2-ylamino]acetic acid
CID 114081567
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
1-(2-bromo-3-methylpentyl)-4-chlorobenzene
CID 63543295
4-[2-(dimethylamino)propyl]benzene-1,2-diol;hydrobromide
CID 90672352

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine (CID 59871381) is (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine is C[C@H](Cc1ccc(Cl)cc1)N(C)C.
What is the InChIKey of (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine?
The InChIKey is DUZIUJWBWTXQGI-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN/c1-9(13(2)3)8-10-4-6-11(12)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine?
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 59871381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).