N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride

C13H22ClNO — CID 17291298

IUPACN-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCCOc1ccc(CNCC(C)C)cc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3;/h5-8,11,14H,4,9-10H2,1-3H3;1H
InChIKeyDBRLRBIBSFDBOH-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.25
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride

N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 17291298) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID17291298
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCCOc1ccc(CNCC(C)C)cc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3;/h5-8,11,14H,4,9-10H2,1-3H3;1H
InChIKeyDBRLRBIBSFDBOH-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 103631774
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43096585
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
3-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491976
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
N-[(4-but-2-ynoxyphenyl)methyl]-2-methylpropan-1-amine
CID 55146246
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6461573

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride (CID 17291298) is N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride is CCOc1ccc(CNCC(C)C)cc1.Cl.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is DBRLRBIBSFDBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-4-15-13-7-5-12(6-8-13)10-14-9-11(2)3;/h5-8,11,14H,4,9-10H2,1-3H3;1H.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17291298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).