N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

C17H27N — CID 64923688

IUPACN-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(C)cc2C)C1C
InChIInChI=1S/C17H27N/c1-5-15-8-9-17(14(15)4)18-11-16-7-6-12(2)10-13(16)3/h6-7,10,14-15,17-18H,5,8-9,11H2,1-4H3
InChIKeyKJPJAAXRRCRMCJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.22
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine

N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64923688) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64923688
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(C)cc2C)C1C
InChIInChI=1S/C17H27N/c1-5-15-8-9-17(14(15)4)18-11-16-7-6-12(2)10-13(16)3/h6-7,10,14-15,17-18H,5,8-9,11H2,1-4H3
InChIKeyKJPJAAXRRCRMCJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
3-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64921560
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199
3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine
CID 104503926
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
3-ethyl-2-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentan-1-amine
CID 66409422
3-ethyl-2-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
CID 64921530
3-ethyl-2-methyl-N-(1H-pyrrol-2-ylmethyl)cyclopentan-1-amine
CID 64923322
3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol
CID 113276518
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
N-[(3-chloro-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 114452932

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 64923688) is N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NCc2ccc(C)cc2C)C1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is KJPJAAXRRCRMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-15-8-9-17(14(15)4)18-11-16-7-6-12(2)10-13(16)3/h6-7,10,14-15,17-18H,5,8-9,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64923688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).