N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

C14H22N2 — CID 115208233

IUPACN-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCc1ccc(CNCC2CCCN2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-13(12(2)8-11)9-15-10-14-4-3-7-16-14/h5-6,8,14-16H,3-4,7,9-10H2,1-2H3
InChIKeyMOTWGVBYUHYUOQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.15
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 115208233) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID115208233
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCc1ccc(CNCC2CCCN2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-5-6-13(12(2)8-11)9-15-10-14-4-3-7-16-14/h5-6,8,14-16H,3-4,7,9-10H2,1-2H3
InChIKeyMOTWGVBYUHYUOQ-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208277
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 115208233) is N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is Cc1ccc(CNCC2CCCN2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is MOTWGVBYUHYUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-6-13(12(2)8-11)9-15-10-14-4-3-7-16-14/h5-6,8,14-16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 115208233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).