N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine

C20H33N — CID 65304962

IUPACN-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine
SMILESCc1ccc(CCC2(CCNC(C)C)CCCC2)c(C)c1
InChIInChI=1S/C20H33N/c1-16(2)21-14-13-20(10-5-6-11-20)12-9-19-8-7-17(3)15-18(19)4/h7-8,15-16,21H,5-6,9-14H2,1-4H3
InChIKeyTXSPPBCADGPATJ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.18
Rot. Bonds7

About N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine

N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine (PubChem CID 65304962) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine
PubChem CID65304962
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine
SMILESCc1ccc(CCC2(CCNC(C)C)CCCC2)c(C)c1
InChIInChI=1S/C20H33N/c1-16(2)21-14-13-20(10-5-6-11-20)12-9-19-8-7-17(3)15-18(19)4/h7-8,15-16,21H,5-6,9-14H2,1-4H3
InChIKeyTXSPPBCADGPATJ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene
CID 57087984
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243633
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1-(3-chloro-4-methylpentyl)-2,4-dimethylbenzene
CID 64509110
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclohexyl]-N-methylethanamine
CID 65303462
3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64658901
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81028590
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
2-methyl-4-[2-(1-nonylcyclohexyl)ethyl]-1-pentylbenzene
CID 57180466

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine (CID 65304962) is N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine is Cc1ccc(CCC2(CCNC(C)C)CCCC2)c(C)c1.
What is the InChIKey of N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine?
The InChIKey is TXSPPBCADGPATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16(2)21-14-13-20(10-5-6-11-20)12-9-19-8-7-17(3)15-18(19)4/h7-8,15-16,21H,5-6,9-14H2,1-4H3.
What are the key properties of N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine?
N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,4-dimethylphenyl)ethyl]cyclopentyl]ethyl]propan-2-amine is sourced from PubChem (CID 65304962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).