N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine

C16H26N2 — CID 63300786

IUPACN-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccccc1CC)C1CCNC1
InChIInChI=1S/C16H26N2/c1-3-11-18(16-9-10-17-12-16)13-15-8-6-5-7-14(15)4-2/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyWABBEGWFCOOBBJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds6

About N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300786) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63300786
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1ccccc1CC)C1CCNC1
InChIInChI=1S/C16H26N2/c1-3-11-18(16-9-10-17-12-16)13-15-8-6-5-7-14(15)4-2/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyWABBEGWFCOOBBJ-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine (CID 63300786) is N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1ccccc1CC)C1CCNC1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is WABBEGWFCOOBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-11-18(16-9-10-17-12-16)13-15-8-6-5-7-14(15)4-2/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).