2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine

C16H25NO — CID 63277985

IUPAC2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCCOc1ccc(CNC2CCCC2C)cc1
InChIInChI=1S/C16H25NO/c1-3-11-18-15-9-7-14(8-10-15)12-17-16-6-4-5-13(16)2/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyZGOSDQDABFLJEA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.75
Rot. Bonds6

About 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine

2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine (PubChem CID 63277985) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
PubChem CID63277985
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
SMILESCCCOc1ccc(CNC2CCCC2C)cc1
InChIInChI=1S/C16H25NO/c1-3-11-18-15-9-7-14(8-10-15)12-17-16-6-4-5-13(16)2/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyZGOSDQDABFLJEA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine
CID 63462119
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
cyclopropyl-[(3R,4R)-3-methyl-4-[(4-propoxyphenyl)methylamino]piperidin-1-yl]methanone
CID 97027957
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
2-ethoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278413
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
CID 124624773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine (CID 63277985) is 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine is CCCOc1ccc(CNC2CCCC2C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
The InChIKey is ZGOSDQDABFLJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-11-18-15-9-7-14(8-10-15)12-17-16-6-4-5-13(16)2/h7-10,13,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine?
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 63277985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).