1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine

C12H17Cl2NO — CID 116715141

IUPAC1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-12(16-2)11(15)7-8-4-5-9(13)10(14)6-8/h4-6,11-12H,3,7,15H2,1-2H3
InChIKeyCCFBAQNYJDYXFJ-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.29
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine

1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine (PubChem CID 116715141) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
PubChem CID116715141
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-12(16-2)11(15)7-8-4-5-9(13)10(14)6-8/h4-6,11-12H,3,7,15H2,1-2H3
InChIKeyCCFBAQNYJDYXFJ-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
CID 116715205
1-(3,4-dichlorophenyl)-3-methylhexan-2-amine
CID 63528315
1-(3,4-dichlorophenyl)-3-phenylpentan-2-amine
CID 115843392
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine (CID 116715141) is 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine?
The InChIKey is CCFBAQNYJDYXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-12(16-2)11(15)7-8-4-5-9(13)10(14)6-8/h4-6,11-12H,3,7,15H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine?
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).