N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine

C16H26N2 — CID 115119164

IUPACN-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)(C)CNC2CCNC2)cc1C
InChIInChI=1S/C16H26N2/c1-12-5-6-14(9-13(12)2)16(3,4)11-18-15-7-8-17-10-15/h5-6,9,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyOGQYTGRFXHOLCO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.53
Rot. Bonds4

About N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine

N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine (PubChem CID 115119164) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
PubChem CID115119164
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
SMILESCc1ccc(C(C)(C)CNC2CCNC2)cc1C
InChIInChI=1S/C16H26N2/c1-12-5-6-14(9-13(12)2)16(3,4)11-18-15-7-8-17-10-15/h5-6,9,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyOGQYTGRFXHOLCO-UHFFFAOYSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(4-propylphenyl)propyl]pyrrolidin-3-amine
CID 115119176
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119195
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118553
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine
CID 115118368
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118551
N-[2-methyl-2-(2-methylphenyl)propyl]piperidin-4-amine
CID 115118569
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118559
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
CID 115118379
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine (CID 115119164) is N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine is Cc1ccc(C(C)(C)CNC2CCNC2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine?
The InChIKey is OGQYTGRFXHOLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-6-14(9-13(12)2)16(3,4)11-18-15-7-8-17-10-15/h5-6,9,15,17-18H,7-8,10-11H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine?
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine is sourced from PubChem (CID 115119164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).