N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

C14H22N2 — CID 28598067

IUPACN-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESCCN(C[C@@H]1CCCN1)c1ccccc1C
InChIInChI=1S/C14H22N2/c1-3-16(11-13-8-6-10-15-13)14-9-5-4-7-12(14)2/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeySSZPCESHHSGYKG-ZDUSSCGKSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds4

About N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (PubChem CID 28598067) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
PubChem CID28598067
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
SMILESCCN(C[C@@H]1CCCN1)c1ccccc1C
InChIInChI=1S/C14H22N2/c1-3-16(11-13-8-6-10-15-13)14-9-5-4-7-12(14)2/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeySSZPCESHHSGYKG-ZDUSSCGKSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
2-bromo-6-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641728
N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641710
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-ethyl-N-(2-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62210137
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641581
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
CID 117118272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline (CID 28598067) is N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is CCN(C[C@@H]1CCCN1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
The InChIKey is SSZPCESHHSGYKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16(11-13-8-6-10-15-13)14-9-5-4-7-12(14)2/h4-5,7,9,13,15H,3,6,8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline?
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline is sourced from PubChem (CID 28598067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).