N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine

C16H18ClNO — CID 4717131

IUPACN-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCOc1ccc(Cl)cc1CNCc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-19-16-9-8-15(17)10-14(16)12-18-11-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3
InChIKeyLCYJKLVYJSWFKV-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.03
Rot. Bonds6

About N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine

N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 4717131) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID4717131
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCOc1ccc(Cl)cc1CNCc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-2-19-16-9-8-15(17)10-14(16)12-18-11-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3
InChIKeyLCYJKLVYJSWFKV-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride
CID 17054094
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212650
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
2-[(benzylamino)methyl]-4-chloroaniline
CID 154201648
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine (CID 4717131) is N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine is CCOc1ccc(Cl)cc1CNCc1ccccc1.
What is the InChIKey of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is LCYJKLVYJSWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-19-16-9-8-15(17)10-14(16)12-18-11-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3.
What are the key properties of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine?
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 4717131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).