N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine

C18H22ClNO — CID 106816485

IUPACN-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)NCc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-4-21-17-9-7-16(8-10-17)14(3)20-12-15-6-5-13(2)18(19)11-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyMCKQBLMFTDVZNG-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.90
Rot. Bonds6

About N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine

N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine (PubChem CID 106816485) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
PubChem CID106816485
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(C)NCc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H22ClNO/c1-4-21-17-9-7-16(8-10-17)14(3)20-12-15-6-5-13(2)18(19)11-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyMCKQBLMFTDVZNG-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 106816973
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
(1R)-N-[(3-bromo-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 105401602

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine (CID 106816485) is N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(C)NCc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is MCKQBLMFTDVZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-21-17-9-7-16(8-10-17)14(3)20-12-15-6-5-13(2)18(19)11-15/h5-11,14,20H,4,12H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine?
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 106816485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).