N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

C16H26N2 — CID 115208280

IUPACN-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCc1ccc(C(C)C)cc1CNCC1CCCN1
InChIInChI=1S/C16H26N2/c1-12(2)14-7-6-13(3)15(9-14)10-17-11-16-5-4-8-18-16/h6-7,9,12,16-18H,4-5,8,10-11H2,1-3H3
InChIKeyMOVQANIKRYDYPX-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds5

About N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 115208280) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID115208280
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCc1ccc(C(C)C)cc1CNCC1CCCN1
InChIInChI=1S/C16H26N2/c1-12(2)14-7-6-13(3)15(9-14)10-17-11-16-5-4-8-18-16/h6-7,9,12,16-18H,4-5,8,10-11H2,1-3H3
InChIKeyMOVQANIKRYDYPX-UHFFFAOYSA-N
XLogP2.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208277
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
CID 116917151
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
CID 116840148
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 115208280) is N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is Cc1ccc(C(C)C)cc1CNCC1CCCN1.
What is the InChIKey of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is MOVQANIKRYDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14-7-6-13(3)15(9-14)10-17-11-16-5-4-8-18-16/h6-7,9,12,16-18H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 115208280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).