N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine

C22H30N2 — CID 143169976

IUPACN-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCc1cccc(CN(CCN2CCCC2)Cc2ccccc2)c1
InChIInChI=1S/C22H30N2/c1-2-20-11-8-12-22(17-20)19-24(16-15-23-13-6-7-14-23)18-21-9-4-3-5-10-21/h3-5,8-12,17H,2,6-7,13-16,18-19H2,1H3
InChIKeyISVVALNWBXDHRI-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.35
Rot. Bonds8

About N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine

N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 143169976) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID143169976
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCc1cccc(CN(CCN2CCCC2)Cc2ccccc2)c1
InChIInChI=1S/C22H30N2/c1-2-20-11-8-12-22(17-20)19-24(16-15-23-13-6-7-14-23)18-21-9-4-3-5-10-21/h3-5,8-12,17H,2,6-7,13-16,18-19H2,1H3
InChIKeyISVVALNWBXDHRI-UHFFFAOYSA-N
XLogP4.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.35
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-piperidin-1-ylethanamine;ethane
CID 143170210
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
3-[[2-piperidin-1-ylethyl(propyl)amino]methyl]benzoic acid
CID 122034203
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
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
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 143169976) is N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine is CCc1cccc(CN(CCN2CCCC2)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is ISVVALNWBXDHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-2-20-11-8-12-22(17-20)19-24(16-15-23-13-6-7-14-23)18-21-9-4-3-5-10-21/h3-5,8-12,17H,2,6-7,13-16,18-19H2,1H3.
What are the key properties of N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 322.50 g/mol, XLogP of 4.35, 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-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 143169976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).