N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine

C12H17Cl2NO — CID 62733353

IUPACN-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(6-7-16-2)15-8-10-4-3-5-11(13)12(10)14/h3-5,9,15H,6-8H2,1-2H3
InChIKeyJLWOPOAYYPYJMS-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.51
Rot. Bonds6

About N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine

N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine (PubChem CID 62733353) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
PubChem CID62733353
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(6-7-16-2)15-8-10-4-3-5-11(13)12(10)14/h3-5,9,15H,6-8H2,1-2H3
InChIKeyJLWOPOAYYPYJMS-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
1-chloro-N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 107310019
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 63462744
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
CID 64606050
4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 64604622
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine (CID 62733353) is N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine?
The InChIKey is JLWOPOAYYPYJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-9(6-7-16-2)15-8-10-4-3-5-11(13)12(10)14/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine?
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 62733353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).