N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine

C16H21NO2 — CID 2195603

IUPACN-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine
SMILESCOc1ccc(OCC#CCNC2CCCC2)cc1
InChIInChI=1S/C16H21NO2/c1-18-15-8-10-16(11-9-15)19-13-5-4-12-17-14-6-2-3-7-14/h8-11,14,17H,2-3,6-7,12-13H2,1H3
InChIKeyKYZFTUBYMFUAPQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds5

About N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine

N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine (PubChem CID 2195603) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine
PubChem CID2195603
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine
SMILESCOc1ccc(OCC#CCNC2CCCC2)cc1
InChIInChI=1S/C16H21NO2/c1-18-15-8-10-16(11-9-15)19-13-5-4-12-17-14-6-2-3-7-14/h8-11,14,17H,2-3,6-7,12-13H2,1H3
InChIKeyKYZFTUBYMFUAPQ-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclohexanamine;oxalic acid
CID 2944317
N-[4-(4-chlorophenoxy)but-2-ynyl]cyclopentanamine;oxalic acid
CID 2961140
cyclohexyl-[4-(4-methoxyphenoxy)but-2-ynyl]azanium
CID 2195255
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
CID 117245908
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine?
The IUPAC name of N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine (CID 2195603) is N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine.
What is the SMILES notation for N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine?
The canonical SMILES for N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine is COc1ccc(OCC#CCNC2CCCC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine?
The InChIKey is KYZFTUBYMFUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-18-15-8-10-16(11-9-15)19-13-5-4-12-17-14-6-2-3-7-14/h8-11,14,17H,2-3,6-7,12-13H2,1H3.
What are the key properties of N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine?
N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine has a molecular weight of 259.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine is sourced from PubChem (CID 2195603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).