4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline

C16H18ClNO — CID 156894830

IUPAC4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1cccc(C[C@@H](C)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-12(18-15-8-6-14(17)7-9-15)10-13-4-3-5-16(11-13)19-2/h3-9,11-12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyUKSXKYYJAOQITL-GFCCVEGCSA-N
MW275.78 g/mol
LogP4.39
Rot. Bonds5

About 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline

4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline (PubChem CID 156894830) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
PubChem CID156894830
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1cccc(C[C@@H](C)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-12(18-15-8-6-14(17)7-9-15)10-13-4-3-5-16(11-13)19-2/h3-9,11-12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyUKSXKYYJAOQITL-GFCCVEGCSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943218
N-[1-(4-chlorophenyl)propan-2-yl]-3-methylaniline
CID 114081193
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline (CID 156894830) is 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline is COc1cccc(C[C@@H](C)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is UKSXKYYJAOQITL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(18-15-8-6-14(17)7-9-15)10-13-4-3-5-16(11-13)19-2/h3-9,11-12,18H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline?
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 275.78 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 156894830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).