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

C17H27NO — CID 116761580

IUPAC(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(C(C)C)cc2)CCCC1
InChIInChI=1S/C17H27NO/c1-4-19-17(11-5-6-12-17)16(18)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3
InChIKeyYBDZAIUEMGKOQU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.16
Rot. Bonds5

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

(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 116761580) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID116761580
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(C(C)C)cc2)CCCC1
InChIInChI=1S/C17H27NO/c1-4-19-17(11-5-6-12-17)16(18)15-9-7-14(8-10-15)13(2)3/h7-10,13,16H,4-6,11-12,18H2,1-3H3
InChIKeyYBDZAIUEMGKOQU-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
CID 116761739
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine
CID 116761821
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
CID 116766963
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
CID 116763590
(2,6-dimethoxyphenyl)-(1-ethoxycyclopentyl)methanamine
CID 116810819
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
CID 116770663
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine (CID 116761580) is (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine is CCOC1(C(N)c2ccc(C(C)C)cc2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is YBDZAIUEMGKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-17(11-5-6-12-17)16(18)15-9-7-14(8-10-15)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-ylphenyl)methanamine?
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116761580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).