1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C18H30N2 — CID 83107346

IUPAC1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCc1ccc(C(C)NCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-5-16-8-10-17(11-9-16)15(2)19-14-18(20(3)4)12-6-7-13-18/h8-11,15,19H,5-7,12-14H2,1-4H3
InChIKeyACJFZYUWLGBANM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds6

About 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 83107346) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID83107346
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCc1ccc(C(C)NCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-5-16-8-10-17(11-9-16)15(2)19-14-18(20(3)4)12-6-7-13-18/h8-11,15,19H,5-7,12-14H2,1-4H3
InChIKeyACJFZYUWLGBANM-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
CID 43201843
1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415471
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415003
4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
1-[[1-(furan-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 43201850
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63822061
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 83107346) is 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CCc1ccc(C(C)NCC2(N(C)C)CCCC2)cc1.
What is the InChIKey of 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is ACJFZYUWLGBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-16-8-10-17(11-9-16)15(2)19-14-18(20(3)4)12-6-7-13-18/h8-11,15,19H,5-7,12-14H2,1-4H3.
What are the key properties of 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 83107346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).