N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine

C13H20ClNO2 — CID 65021527

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(9-16-2)7-15-8-11-4-5-13(17-3)12(14)6-11/h4-6,10,15H,7-9H2,1-3H3
InChIKeyTZOQYVPMKHLYBF-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.72
Rot. Bonds7

About N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine

N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine (PubChem CID 65021527) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
PubChem CID65021527
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(9-16-2)7-15-8-11-4-5-13(17-3)12(14)6-11/h4-6,10,15H,7-9H2,1-3H3
InChIKeyTZOQYVPMKHLYBF-UHFFFAOYSA-N
XLogP2.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
4-[(3-chloro-4-methoxyphenyl)methylamino]butan-2-ol
CID 65021347
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 65024222
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625168
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
CID 107342323
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine (CID 65021527) is N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine is COCC(C)CNCc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
The InChIKey is TZOQYVPMKHLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(9-16-2)7-15-8-11-4-5-13(17-3)12(14)6-11/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 65021527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).