1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine

C12H18ClNO — CID 116715506

IUPAC1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-4-11(15-3)12(14-2)9-6-5-7-10(13)8-9/h5-8,11-12,14H,4H2,1-3H3
InChIKeyFCVDUCTUYAYZGA-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.03
Rot. Bonds5

About 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine

1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine (PubChem CID 116715506) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
PubChem CID116715506
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-4-11(15-3)12(14-2)9-6-5-7-10(13)8-9/h5-8,11-12,14H,4H2,1-3H3
InChIKeyFCVDUCTUYAYZGA-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-(3-chlorophenyl)-2-methoxy-N-methylpropan-1-amine
CID 79617287
2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116715521
1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772654
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598
(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol
CID 124673100
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
2-ethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116716569
1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715348
1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 114604710
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine (CID 116715506) is 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine is CCC(OC)C(NC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine?
The InChIKey is FCVDUCTUYAYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-11(15-3)12(14-2)9-6-5-7-10(13)8-9/h5-8,11-12,14H,4H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine?
1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 116715506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).