4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline

C13H19ClN2 — CID 171212628

IUPAC4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@H](N)CC2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16(2)10-5-6-11(12(14)8-10)13(15)7-9-3-4-9/h5-6,8-9,13H,3-4,7,15H2,1-2H3/t13-/m1/s1
InChIKeyOGCVRYYLKZMXHP-CYBMUJFWSA-N
MW238.76 g/mol
LogP3.21
Rot. Bonds4

About 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline

4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline (PubChem CID 171212628) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
PubChem CID171212628
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@H](N)CC2CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16(2)10-5-6-11(12(14)8-10)13(15)7-9-3-4-9/h5-6,8-9,13H,3-4,7,15H2,1-2H3/t13-/m1/s1
InChIKeyOGCVRYYLKZMXHP-CYBMUJFWSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474
4-[(R)-amino(cyclohexyl)methyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212641
(1S,2R)-2-amino-2-[2-chloro-4-(dimethylamino)phenyl]-1-cyclopropylethanol;hydrochloride
CID 171264677
(1S)-1-[2-chloro-4-(dimethylamino)phenyl]pentane-1,5-diamine
CID 171232219
4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232241
4-[(1R)-1-aminopent-4-enyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212647
(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
CID 171212662
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232237
3-chloro-4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-dimethylaniline;dihydrochloride
CID 171294553
1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyclopropylethanamine
CID 55031996

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline?
The IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline (CID 171212628) is 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline?
The canonical SMILES for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline is CN(C)c1ccc([C@H](N)CC2CC2)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline?
The InChIKey is OGCVRYYLKZMXHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16(2)10-5-6-11(12(14)8-10)13(15)7-9-3-4-9/h5-6,8-9,13H,3-4,7,15H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline?
4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline has a molecular weight of 238.76 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline is sourced from PubChem (CID 171212628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).