1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine

C18H29NO2 — CID 82927704

IUPAC1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1ccc(CNC)c(OC2CCCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-3-12-20-17-11-10-15(14-19-2)18(13-17)21-16-8-6-4-5-7-9-16/h10-11,13,16,19H,3-9,12,14H2,1-2H3
InChIKeyRZPPGIWHFQCIST-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.30
Rot. Bonds7

About 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine

1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine (PubChem CID 82927704) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
PubChem CID82927704
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1ccc(CNC)c(OC2CCCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-3-12-20-17-11-10-15(14-19-2)18(13-17)21-16-8-6-4-5-7-9-16/h10-11,13,16,19H,3-9,12,14H2,1-2H3
InChIKeyRZPPGIWHFQCIST-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
2-[2-(oxan-4-yloxy)-4-propoxyphenyl]ethanamine
CID 63936099
2-[2-(oxan-3-yloxy)-4-propoxyphenyl]ethanamine
CID 107137083
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine (CID 82927704) is 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine is CCCOc1ccc(CNC)c(OC2CCCCCC2)c1.
What is the InChIKey of 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine?
The InChIKey is RZPPGIWHFQCIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-12-20-17-11-10-15(14-19-2)18(13-17)21-16-8-6-4-5-7-9-16/h10-11,13,16,19H,3-9,12,14H2,1-2H3.
What are the key properties of 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine?
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 82927704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).