N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline

C16H26N2 — CID 62480475

IUPACN-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
SMILESCCN(CCCC1CCCN1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-3-18(16-10-8-14(2)9-11-16)13-5-7-15-6-4-12-17-15/h8-11,15,17H,3-7,12-13H2,1-2H3
InChIKeyLPLSQHSXEOTMQZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline

N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline (PubChem CID 62480475) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
PubChem CID62480475
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
SMILESCCN(CCCC1CCCN1)c1ccc(C)cc1
InChIInChI=1S/C16H26N2/c1-3-18(16-10-8-14(2)9-11-16)13-5-7-15-6-4-12-17-15/h8-11,15,17H,3-7,12-13H2,1-2H3
InChIKeyLPLSQHSXEOTMQZ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline
CID 55076467
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-ethyl-N-(3-pyrrolidin-2-ylpropyl)butan-2-amine
CID 62479230
N-butyl-N-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106620257
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
CID 79538338
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
1-ethyl-N-methyl-N-(3-pyrrolidin-2-ylpropyl)piperidin-4-amine
CID 62478343
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
The IUPAC name of N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline (CID 62480475) is N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline.
What is the SMILES notation for N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
The canonical SMILES for N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline is CCN(CCCC1CCCN1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
The InChIKey is LPLSQHSXEOTMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(16-10-8-14(2)9-11-16)13-5-7-15-6-4-12-17-15/h8-11,15,17H,3-7,12-13H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline?
N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(3-pyrrolidin-2-ylpropyl)aniline is sourced from PubChem (CID 62480475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).