N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine

C16H25NO — CID 138519134

IUPACN-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
SMILESCOc1ccc(CN(C(C)C)C2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)17(15-6-4-5-7-15)12-14-8-10-16(18-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyCHKLWBHCHYFRKW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine

N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine (PubChem CID 138519134) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
PubChem CID138519134
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
SMILESCOc1ccc(CN(C(C)C)C2CCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)17(15-6-4-5-7-15)12-14-8-10-16(18-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyCHKLWBHCHYFRKW-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 8770830
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
(2S)-N-carbamoyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 8770549
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
CID 142720743
N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 8770910
(2S)-1-cyclobutyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118929228
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
(2R)-N-(4-acetylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 8770183
2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
CID 158739786
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine (CID 138519134) is N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine is COc1ccc(CN(C(C)C)C2CCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine?
The InChIKey is CHKLWBHCHYFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)17(15-6-4-5-7-15)12-14-8-10-16(18-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine?
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 138519134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).