N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane

C25H38N2 — CID 143170210

IUPACN-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane
SMILESCC.CCc1cccc(CN(CCN2CCCCC2)Cc2ccccc2)c1
InChIInChI=1S/C23H32N2.C2H6/c1-2-21-12-9-13-23(18-21)20-25(19-22-10-5-3-6-11-22)17-16-24-14-7-4-8-15-24;1-2/h3,5-6,9-13,18H,2,4,7-8,14-17,19-20H2,1H3;1-2H3
InChIKeyFHKQJJKDYFJGKS-UHFFFAOYSA-N
MW366.59 g/mol
LogP5.76
Rot. Bonds8

About N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane

N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane (PubChem CID 143170210) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane.

Molecular Properties

Compound NameN-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane
PubChem CID143170210
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC NameN-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane
SMILESCC.CCc1cccc(CN(CCN2CCCCC2)Cc2ccccc2)c1
InChIInChI=1S/C23H32N2.C2H6/c1-2-21-12-9-13-23(18-21)20-25(19-22-10-5-3-6-11-22)17-16-24-14-7-4-8-15-24;1-2/h3,5-6,9-13,18H,2,4,7-8,14-17,19-20H2,1H3;1-2H3
InChIKeyFHKQJJKDYFJGKS-UHFFFAOYSA-N
XLogP5.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine;ethane
CID 143170220
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
3-[[2-piperidin-1-ylethyl(propyl)amino]methyl]benzoic acid
CID 122034203
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
CID 82853015
N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 20766137
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
1-ethylpiperidine;phenylmethanamine
CID 174819379
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 24832590
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 11971642

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane?
The IUPAC name of N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane (CID 143170210) is N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane.
What is the SMILES notation for N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane?
The canonical SMILES for N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane is CC.CCc1cccc(CN(CCN2CCCCC2)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane?
The InChIKey is FHKQJJKDYFJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.C2H6/c1-2-21-12-9-13-23(18-21)20-25(19-22-10-5-3-6-11-22)17-16-24-14-7-4-8-15-24;1-2/h3,5-6,9-13,18H,2,4,7-8,14-17,19-20H2,1H3;1-2H3.
What are the key properties of N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane?
N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane has a molecular weight of 366.59 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-ethylphenyl)methyl]-2-piperidin-1-ylethanamine;ethane is sourced from PubChem (CID 143170210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).