3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine

C18H29NO — CID 116539814

IUPAC3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cc(C)c(OC)cc2C)C1
InChIInChI=1S/C18H29NO/c1-6-9-19-15-7-8-18(4,12-15)16-10-14(3)17(20-5)11-13(16)2/h10-11,15,19H,6-9,12H2,1-5H3
InChIKeyBTQBKTKGWGZRBQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.12
Rot. Bonds5

About 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine

3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 116539814) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
PubChem CID116539814
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cc(C)c(OC)cc2C)C1
InChIInChI=1S/C18H29NO/c1-6-9-19-15-7-8-18(4,12-15)16-10-14(3)17(20-5)11-13(16)2/h10-11,15,19H,6-9,12H2,1-5H3
InChIKeyBTQBKTKGWGZRBQ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 114664853
5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine
CID 116539727
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
1-(2-methoxy-4,6-dimethylphenyl)-4-(propylamino)cyclohexan-1-ol
CID 106681534
3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539698
3-methyl-N-propyl-3-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 116539638
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708933
3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
1-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine (CID 116539814) is 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(c2cc(C)c(OC)cc2C)C1.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is BTQBKTKGWGZRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-9-19-15-7-8-18(4,12-15)16-10-14(3)17(20-5)11-13(16)2/h10-11,15,19H,6-9,12H2,1-5H3.
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine?
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).