[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine

C12H17Cl2NO — CID 62104008

IUPAC[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
SMILESCCC(C)COc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C12H17Cl2NO/c1-3-8(2)7-16-12-9(6-15)4-10(13)5-11(12)14/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyVYVJQNWVZFKVCI-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.88
Rot. Bonds5

About [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine

[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine (PubChem CID 62104008) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
PubChem CID62104008
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
SMILESCCC(C)COc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C12H17Cl2NO/c1-3-8(2)7-16-12-9(6-15)4-10(13)5-11(12)14/h4-5,8H,3,6-7,15H2,1-2H3
InChIKeyVYVJQNWVZFKVCI-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene
CID 114200333
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
3-[2-(aminomethyl)-4,6-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902059
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
[3,5-dichloro-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60890014
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577
1-[2-(aminomethyl)-4,6-dichlorophenoxy]-2-phenylpropan-2-ol
CID 62374983

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine (CID 62104008) is [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine is CCC(C)COc1c(Cl)cc(Cl)cc1CN.
What is the InChIKey of [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine?
The InChIKey is VYVJQNWVZFKVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-8(2)7-16-12-9(6-15)4-10(13)5-11(12)14/h4-5,8H,3,6-7,15H2,1-2H3.
What are the key properties of [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine?
[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine has a molecular weight of 262.18 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine is sourced from PubChem (CID 62104008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).