2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine

C10H13Cl2NO — CID 83895896

IUPAC2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
SMILESCOc1cc(C(C)CN)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-6(5-13)7-3-10(14-2)9(12)4-8(7)11/h3-4,6H,5,13H2,1-2H3
InChIKeyHMBBCSOPBYZYCY-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.06
Rot. Bonds3

About 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine

2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine (PubChem CID 83895896) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
PubChem CID83895896
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
SMILESCOc1cc(C(C)CN)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-6(5-13)7-3-10(14-2)9(12)4-8(7)11/h3-4,6H,5,13H2,1-2H3
InChIKeyHMBBCSOPBYZYCY-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
CID 83943624
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
CID 82297325
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835620
4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
CID 117349624
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708
3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
CID 82303091

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine (CID 83895896) is 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine is COc1cc(C(C)CN)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine?
The InChIKey is HMBBCSOPBYZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-6(5-13)7-3-10(14-2)9(12)4-8(7)11/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine?
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine has a molecular weight of 234.13 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83895896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).