(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine

C17H25NO — CID 105051512

IUPAC(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)c2ccc(OC3CC3)cc2)CCCC1
InChIInChI=1S/C17H25NO/c1-2-17(11-3-4-12-17)16(18)13-5-7-14(8-6-13)19-15-9-10-15/h5-8,15-16H,2-4,9-12,18H2,1H3
InChIKeyXOPSELMFQJADCI-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.20
Rot. Bonds5

About (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine

(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine (PubChem CID 105051512) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
PubChem CID105051512
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)c2ccc(OC3CC3)cc2)CCCC1
InChIInChI=1S/C17H25NO/c1-2-17(11-3-4-12-17)16(18)13-5-7-14(8-6-13)19-15-9-10-15/h5-8,15-16H,2-4,9-12,18H2,1H3
InChIKeyXOPSELMFQJADCI-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 114519781
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943533
(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine
CID 115827431
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
1-(4-cyclopropyloxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239235
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051483

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine (CID 105051512) is (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine is CCC1(C(N)c2ccc(OC3CC3)cc2)CCCC1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine?
The InChIKey is XOPSELMFQJADCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-17(11-3-4-12-17)16(18)13-5-7-14(8-6-13)19-15-9-10-15/h5-8,15-16H,2-4,9-12,18H2,1H3.
What are the key properties of (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine?
(4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(1-ethylcyclopentyl)methanamine is sourced from PubChem (CID 105051512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).