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

C13H20ClNO — CID 104881782

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-10(9-16-3)8-15-11(2)12-5-4-6-13(14)7-12/h4-7,10-11,15H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyIULQXRYZCKDSBH-RRKGBCIJSA-N
MW241.76 g/mol
LogP3.27
Rot. Bonds6

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

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine (PubChem CID 104881782) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
PubChem CID104881782
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-10(9-16-3)8-15-11(2)12-5-4-6-13(14)7-12/h4-7,10-11,15H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyIULQXRYZCKDSBH-RRKGBCIJSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81366163
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 61019279
1-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43107194
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine (CID 104881782) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine is COCC(C)CN[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine?
The InChIKey is IULQXRYZCKDSBH-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(9-16-3)8-15-11(2)12-5-4-6-13(14)7-12/h4-7,10-11,15H,8-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.27, 6 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]-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 104881782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).