N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine

C16H23NO — CID 54849864

IUPACN-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
SMILESC=C(C)COc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(2)12-18-16-9-7-14(8-10-16)11-17-15-5-3-4-6-15/h7-10,15,17H,1,3-6,11-12H2,2H3
InChIKeyCGJOMFFWGQUHRI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.67
Rot. Bonds6

About N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine

N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine (PubChem CID 54849864) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
PubChem CID54849864
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine
SMILESC=C(C)COc1ccc(CNC2CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(2)12-18-16-9-7-14(8-10-16)11-17-15-5-3-4-6-15/h7-10,15,17H,1,3-6,11-12H2,2H3
InChIKeyCGJOMFFWGQUHRI-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
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N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine (CID 54849864) is N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine is C=C(C)COc1ccc(CNC2CCCC2)cc1.
What is the InChIKey of N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine?
The InChIKey is CGJOMFFWGQUHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)12-18-16-9-7-14(8-10-16)11-17-15-5-3-4-6-15/h7-10,15,17H,1,3-6,11-12H2,2H3.
What are the key properties of N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine?
N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine has a molecular weight of 245.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylprop-2-enoxy)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 54849864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).