N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride

C17H22ClNO — CID 6462036

IUPACN-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
SMILESCCOc1ccccc1CNCc1ccc(C)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-3-19-17-7-5-4-6-16(17)13-18-12-15-10-8-14(2)9-11-15;/h4-11,18H,3,12-13H2,1-2H3;1H
InChIKeyDJRWJPANJNSGTL-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.11
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride

N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride (PubChem CID 6462036) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
PubChem CID6462036
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
SMILESCCOc1ccccc1CNCc1ccc(C)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-3-19-17-7-5-4-6-16(17)13-18-12-15-10-8-14(2)9-11-15;/h4-11,18H,3,12-13H2,1-2H3;1H
InChIKeyDJRWJPANJNSGTL-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 28663714
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 17054761
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride (CID 6462036) is N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride is CCOc1ccccc1CNCc1ccc(C)cc1.Cl.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
The InChIKey is DJRWJPANJNSGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-3-19-17-7-5-4-6-16(17)13-18-12-15-10-8-14(2)9-11-15;/h4-11,18H,3,12-13H2,1-2H3;1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride?
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 6462036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).