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

C12H18ClNO — CID 115656052

IUPACN-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,15-3)9-14-8-10-5-4-6-11(13)7-10/h4-7,14H,8-9H2,1-3H3
InChIKeyIVWKKUZOVRJPAG-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.85
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 115656052) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
PubChem CID115656052
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-12(2,15-3)9-14-8-10-5-4-6-11(13)7-10/h4-7,14H,8-9H2,1-3H3
InChIKeyIVWKKUZOVRJPAG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
methyl 3-[(3-chlorophenyl)methylamino]-2,2-dimethylpropanoate
CID 79623867
N-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 63452100
N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113450002
3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
CID 62059723
1-[(3-chlorophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 111437026
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
1-chloro-3-(2,2-dimethoxypropyl)benzene
CID 102600712
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
(2S)-1-[(3-chlorophenyl)methylamino]-3-(4-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 7222054

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine (CID 115656052) is N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is IVWKKUZOVRJPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,15-3)9-14-8-10-5-4-6-11(13)7-10/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine?
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115656052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).