N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C16H26N2 — CID 113408558

IUPACN-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1ccccc1CCNC(C)CN1CCCC1
InChIInChI=1S/C16H26N2/c1-14-7-3-4-8-16(14)9-10-17-15(2)13-18-11-5-6-12-18/h3-4,7-8,15,17H,5-6,9-13H2,1-2H3
InChIKeyAJTCSLQYYFACKW-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 113408558) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID113408558
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1ccccc1CCNC(C)CN1CCCC1
InChIInChI=1S/C16H26N2/c1-14-7-3-4-8-16(14)9-10-17-15(2)13-18-11-5-6-12-18/h3-4,7-8,15,17H,5-6,9-13H2,1-2H3
InChIKeyAJTCSLQYYFACKW-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
N-[2-(2-methylphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 79763044
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
CID 79763034
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474184
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289885
4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 113408558) is N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is Cc1ccccc1CCNC(C)CN1CCCC1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is AJTCSLQYYFACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-7-3-4-8-16(14)9-10-17-15(2)13-18-11-5-6-12-18/h3-4,7-8,15,17H,5-6,9-13H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 113408558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).