N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine

C26H38ClNO3 — CID 54855675

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1ccccc1CNCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C26H38ClNO3/c1-4-5-6-7-8-9-10-13-16-31-24-15-12-11-14-21(24)19-28-20-22-17-25(29-2)26(30-3)18-23(22)27/h11-12,14-15,17-18,28H,4-10,13,16,19-20H2,1-3H3
InChIKeyDZHSTPYQUDZLPM-UHFFFAOYSA-N
MW448.05 g/mol
LogP7.17
Rot. Bonds16

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine (PubChem CID 54855675) has the molecular formula C26H38ClNO3 and a molecular weight of 448.05 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine
PubChem CID54855675
Molecular FormulaC26H38ClNO3
Molecular Weight448.05 g/mol
Exact Mass447.25
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1ccccc1CNCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C26H38ClNO3/c1-4-5-6-7-8-9-10-13-16-31-24-15-12-11-14-21(24)19-28-20-22-17-25(29-2)26(30-3)18-23(22)27/h11-12,14-15,17-18,28H,4-10,13,16,19-20H2,1-3H3
InChIKeyDZHSTPYQUDZLPM-UHFFFAOYSA-N
XLogP7.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.05
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)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-(2-chloro-4,5-dimethoxyphenyl)-N-[(2-decoxynaphthalen-1-yl)methyl]methanamine
CID 54855639
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[2-(2-methylpropoxy)phenyl]methanamine
CID 54855372
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-phenylmethoxyphenyl)methanamine
CID 54855813
N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 66530237
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine
CID 66529172
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 66530787
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-2-pentoxybenzamide
CID 54785731

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine (CID 54855675) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine is CCCCCCCCCCOc1ccccc1CNCc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine?
The InChIKey is DZHSTPYQUDZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38ClNO3/c1-4-5-6-7-8-9-10-13-16-31-24-15-12-11-14-21(24)19-28-20-22-17-25(29-2)26(30-3)18-23(22)27/h11-12,14-15,17-18,28H,4-10,13,16,19-20H2,1-3H3.
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine has a molecular weight of 448.05 g/mol, XLogP of 7.17, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine is sourced from PubChem (CID 54855675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).