1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine

C11H15Cl2NO — CID 82550774

IUPAC1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
SMILESCCCC(N)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-3-4-10(14)7-5-8(12)11(15-2)9(13)6-7/h5-6,10H,3-4,14H2,1-2H3
InChIKeyCWRBBZZRUFWIMU-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.80
Rot. Bonds4

About 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine

1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine (PubChem CID 82550774) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
PubChem CID82550774
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
SMILESCCCC(N)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-3-4-10(14)7-5-8(12)11(15-2)9(13)6-7/h5-6,10H,3-4,14H2,1-2H3
InChIKeyCWRBBZZRUFWIMU-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
1-(3-chloro-4,5-dimethoxyphenyl)pent-4-yn-1-amine
CID 63655288
1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
CID 83928598
2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
CID 117331573
1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103035615
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
2-amino-2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117372574
4-amino-4-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 117496404
(1S)-1-(3-chloro-5-fluorophenyl)butan-1-amine
CID 131091213
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
4-amino-4-(3-chloro-2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 117460388
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine?
The IUPAC name of 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine (CID 82550774) is 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine?
The canonical SMILES for 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine is CCCC(N)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine?
The InChIKey is CWRBBZZRUFWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-3-4-10(14)7-5-8(12)11(15-2)9(13)6-7/h5-6,10H,3-4,14H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine?
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine has a molecular weight of 248.15 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 82550774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).