N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H26N2 — CID 106603290

IUPACN-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)ccc1C)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-4-18(12-16-6-5-9-17-16)11-15-10-13(2)7-8-14(15)3/h7-8,10,16-17H,4-6,9,11-12H2,1-3H3
InChIKeyNLXUGQKYUJFMFH-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.88
Rot. Bonds5

About N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106603290) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106603290
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)ccc1C)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-4-18(12-16-6-5-9-17-16)11-15-10-13(2)7-8-14(15)3/h7-8,10,16-17H,4-6,9,11-12H2,1-3H3
InChIKeyNLXUGQKYUJFMFH-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-[[2-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603473
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603362
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106603290) is N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1cc(C)ccc1C)CC1CCCN1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is NLXUGQKYUJFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(12-16-6-5-9-17-16)11-15-10-13(2)7-8-14(15)3/h7-8,10,16-17H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106603290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).