N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H26N2 — CID 106603533

IUPACN-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)cc(C)c1)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-4-18(12-16-6-5-7-17-16)11-15-9-13(2)8-14(3)10-15/h8-10,16-17H,4-7,11-12H2,1-3H3
InChIKeyWYXNROSBVHBMIC-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.88
Rot. Bonds5

About N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106603533) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106603533
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cc(C)cc(C)c1)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-4-18(12-16-6-5-7-17-16)11-15-9-13(2)8-14(3)10-15/h8-10,16-17H,4-7,11-12H2,1-3H3
InChIKeyWYXNROSBVHBMIC-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-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-fluorobenzonitrile
CID 106614926
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615398
N-(pyrrolidin-2-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 106603917
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106614911
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615575

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106603533) is N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(Cc1cc(C)cc(C)c1)CC1CCCN1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is WYXNROSBVHBMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(12-16-6-5-7-17-16)11-15-9-13(2)8-14(3)10-15/h8-10,16-17H,4-7,11-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(3,5-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-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106603533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).