2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine

C19H31N — CID 107188307

IUPAC2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCC1C
InChIInChI=1S/C19H31N/c1-14-7-6-8-17(14)18(20-5)13-15-9-11-16(12-10-15)19(2,3)4/h9-12,14,17-18,20H,6-8,13H2,1-5H3
InChIKeyYENDQXAKSFNXQB-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine

2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107188307) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
PubChem CID107188307
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCC1C
InChIInChI=1S/C19H31N/c1-14-7-6-8-17(14)18(20-5)13-15-9-11-16(12-10-15)19(2,3)4/h9-12,14,17-18,20H,6-8,13H2,1-5H3
InChIKeyYENDQXAKSFNXQB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107188350
2-(4-tert-butylphenyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622254
N-methyl-1-(2-methylcyclopentyl)-2-pyridin-3-ylethanamine
CID 107190771
N,4,4-trimethyl-1-(2-methylcyclopentyl)pentan-1-amine
CID 107188477
2-(2-chlorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179450
2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
N-methyl-1-(2-methylcyclopentyl)-2-pyridin-2-ylethanamine
CID 107179871
2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 61065850
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
1-(2-methylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 107183450
2-cyclohexyl-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188288

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine (CID 107188307) is 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine is CNC(Cc1ccc(C(C)(C)C)cc1)C1CCCC1C.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is YENDQXAKSFNXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-7-6-8-17(14)18(20-5)13-15-9-11-16(12-10-15)19(2,3)4/h9-12,14,17-18,20H,6-8,13H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine?
2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107188307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).