N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine

C12H17Cl2NO — CID 43191934

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-8(7-16-3)15-9(2)10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7H2,1-3H3
InChIKeyLUHJJBMRBBVRGT-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine

N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 43191934) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID43191934
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-8(7-16-3)15-9(2)10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7H2,1-3H3
InChIKeyLUHJJBMRBBVRGT-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147148
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine
CID 115683511
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115722751

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine (CID 43191934) is N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is LUHJJBMRBBVRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(7-16-3)15-9(2)10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 43191934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).