N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine

C13H20ClNO — CID 81356589

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-10(8-9-16-3)15-11(2)12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyRNUCKLUKRAPEQJ-RRKGBCIJSA-N
MW241.76 g/mol
LogP3.42
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine (PubChem CID 81356589) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
PubChem CID81356589
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO/c1-10(8-9-16-3)15-11(2)12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyRNUCKLUKRAPEQJ-RRKGBCIJSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
CID 115632133
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine (CID 81356589) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine is COCCC(C)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine?
The InChIKey is RNUCKLUKRAPEQJ-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(8-9-16-3)15-11(2)12-4-6-13(14)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 81356589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).