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

C18H29NO2 — CID 64920557

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(OC)cc2OC)C1C
InChIInChI=1S/C18H29NO2/c1-6-14-7-10-17(12(14)2)19-13(3)16-9-8-15(20-4)11-18(16)21-5/h8-9,11-14,17,19H,6-7,10H2,1-5H3
InChIKeyDKRWBBIKHVMPDG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds6

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

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64920557) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64920557
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(OC)cc2OC)C1C
InChIInChI=1S/C18H29NO2/c1-6-14-7-10-17(12(14)2)19-13(3)16-9-8-15(20-4)11-18(16)21-5/h8-9,11-14,17,19H,6-7,10H2,1-5H3
InChIKeyDKRWBBIKHVMPDG-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
N-[1-(2,4-dibromophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920776
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
2-ethyl-N-[1-(2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 103783784
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902739
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
CID 64923501
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine (CID 64920557) is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NC(C)c2ccc(OC)cc2OC)C1C.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is DKRWBBIKHVMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-14-7-10-17(12(14)2)19-13(3)16-9-8-15(20-4)11-18(16)21-5/h8-9,11-14,17,19H,6-7,10H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64920557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).