N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine

C12H18ClNO — CID 81366148

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-9(8-15-3)14-10(2)11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyZKRCWDGNDWMXDK-QVDQXJPCSA-N
MW227.73 g/mol
LogP3.03
Rot. Bonds5

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 81366148) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID81366148
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-9(8-15-3)14-10(2)11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyZKRCWDGNDWMXDK-QVDQXJPCSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 104881782
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 81362729
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine (CID 81366148) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)N[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is ZKRCWDGNDWMXDK-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(8-15-3)14-10(2)11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 81366148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).