4-(4-chlorophenyl)-1-methoxybutan-2-amine

C11H16ClNO — CID 62321130

IUPAC4-(4-chlorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-14-8-11(13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,11H,4,7-8,13H2,1H3
InChIKeyLPIUGAUNHBMDHT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.25
Rot. Bonds5

About 4-(4-chlorophenyl)-1-methoxybutan-2-amine

4-(4-chlorophenyl)-1-methoxybutan-2-amine (PubChem CID 62321130) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methoxybutan-2-amine
PubChem CID62321130
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-(4-chlorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-14-8-11(13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,11H,4,7-8,13H2,1H3
InChIKeyLPIUGAUNHBMDHT-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-1-methoxybutan-2-amine
CID 62321131
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102122
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
CID 62319637
1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol
CID 67502477
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybutanoate
CID 101370684
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
CID 62318724
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methoxybutan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-methoxybutan-2-amine (CID 62321130) is 4-(4-chlorophenyl)-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methoxybutan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-methoxybutan-2-amine is COCC(N)CCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methoxybutan-2-amine?
The InChIKey is LPIUGAUNHBMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-14-8-11(13)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,11H,4,7-8,13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methoxybutan-2-amine?
4-(4-chlorophenyl)-1-methoxybutan-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 62321130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).