(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine

C17H27NO2 — CID 116761739

IUPAC(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(OC(C)C)cc2)CCCC1
InChIInChI=1S/C17H27NO2/c1-4-19-17(11-5-6-12-17)16(18)14-7-9-15(10-8-14)20-13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3
InChIKeyQVMRJVWBMBYOJJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds6

About (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine

(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 116761739) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
PubChem CID116761739
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(OC(C)C)cc2)CCCC1
InChIInChI=1S/C17H27NO2/c1-4-19-17(11-5-6-12-17)16(18)14-7-9-15(10-8-14)20-13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3
InChIKeyQVMRJVWBMBYOJJ-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine
CID 116761821
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
CID 116766963
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(4-cyclopropyloxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 114519781
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
CID 116763590
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine (CID 116761739) is (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine is CCOC1(C(N)c2ccc(OC(C)C)cc2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is QVMRJVWBMBYOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-17(11-5-6-12-17)16(18)14-7-9-15(10-8-14)20-13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3.
What are the key properties of (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine?
(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 116761739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).