1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine

C16H20ClNO — CID 145366496

IUPAC1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine
SMILESCCOc1ccc(Cc2ccccc2Cl)cc1.CN
InChIInChI=1S/C15H15ClO.CH5N/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16;1-2/h3-10H,2,11H2,1H3;2H2,1H3
InChIKeyUAVNVZFOOWFXHX-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.90
Rot. Bonds4

About 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine

1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine (PubChem CID 145366496) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine.

Molecular Properties

Compound Name1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine
PubChem CID145366496
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine
SMILESCCOc1ccc(Cc2ccccc2Cl)cc1.CN
InChIInChI=1S/C15H15ClO.CH5N/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16;1-2/h3-10H,2,11H2,1H3;2H2,1H3
InChIKeyUAVNVZFOOWFXHX-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;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

3-chloro-2-[(4-ethoxyphenyl)methyl]phenol
CID 67382439
4-tert-butyl-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methane
CID 161337018
CID 175944134
CID 175944134
1-bromo-2-(bromomethyl)-4-chloro-5-[(4-ethoxyphenyl)methyl]benzene
CID 59557690
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
CID 7986318
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
CID 112790366
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxane-3,4,5-triol
CID 67891757
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-sulfanyloxane-3,4,5-triol
CID 89211455
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
(2S,3S,4R,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxane-2-carboxamide
CID 58587523

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine?
The IUPAC name of 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine (CID 145366496) is 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine.
What is the SMILES notation for 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine?
The canonical SMILES for 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine is CCOc1ccc(Cc2ccccc2Cl)cc1.CN.
What is the InChIKey of 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine?
The InChIKey is UAVNVZFOOWFXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO.CH5N/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16;1-2/h3-10H,2,11H2,1H3;2H2,1H3.
What are the key properties of 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine?
1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine has a molecular weight of 277.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene;methanamine is sourced from PubChem (CID 145366496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).