N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride

C12H20ClN — CID 17331855

IUPACN-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-4-13-9-11-5-7-12(8-6-11)10(2)3;/h5-8,10,13H,4,9H2,1-3H3;1H
InChIKeyVKMXWPNTYVWJHD-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.34
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride

N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17331855) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
PubChem CID17331855
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-4-13-9-11-5-7-12(8-6-11)10(2)3;/h5-8,10,13H,4,9H2,1-3H3;1H
InChIKeyVKMXWPNTYVWJHD-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride (CID 17331855) is N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride is CCNCc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is VKMXWPNTYVWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.ClH/c1-4-13-9-11-5-7-12(8-6-11)10(2)3;/h5-8,10,13H,4,9H2,1-3H3;1H.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride?
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 213.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17331855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).