N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride

C17H22ClN — CID 17289928

IUPACN-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
SMILESCCc1ccc(CNCCc2ccccc2)cc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-2-15-8-10-17(11-9-15)14-18-13-12-16-6-4-3-5-7-16;/h3-11,18H,2,12-14H2,1H3;1H
InChIKeyLEGCGUUAAXOAIX-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.00
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride

N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride (PubChem CID 17289928) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
PubChem CID17289928
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC NameN-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
SMILESCCc1ccc(CNCCc2ccccc2)cc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-2-15-8-10-17(11-9-15)14-18-13-12-16-6-4-3-5-7-16;/h3-11,18H,2,12-14H2,1H3;1H
InChIKeyLEGCGUUAAXOAIX-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-benzyl-2-phenylethanamine;isothiocyanic acid
CID 87452788
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
N-[(4-ethynylphenyl)methyl]-2-phenylethanamine
CID 87605259

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride (CID 17289928) is N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride is CCc1ccc(CNCCc2ccccc2)cc1.Cl.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride?
The InChIKey is LEGCGUUAAXOAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-2-15-8-10-17(11-9-15)14-18-13-12-16-6-4-3-5-7-16;/h3-11,18H,2,12-14H2,1H3;1H.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride?
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 17289928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).