[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine

C17H25NO — CID 114523516

IUPAC[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1cccc(OC2CC2)c1
InChIInChI=1S/C17H25NO/c18-12-14-5-2-1-3-8-17(14)13-6-4-7-16(11-13)19-15-9-10-15/h4,6-7,11,14-15,17H,1-3,5,8-10,12,18H2
InChIKeyKBUMNHFIPZPFAN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.85
Rot. Bonds4

About [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine

[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine (PubChem CID 114523516) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
PubChem CID114523516
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1cccc(OC2CC2)c1
InChIInChI=1S/C17H25NO/c18-12-14-5-2-1-3-8-17(14)13-6-4-7-16(11-13)19-15-9-10-15/h4,6-7,11,14-15,17H,1-3,5,8-10,12,18H2
InChIKeyKBUMNHFIPZPFAN-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
[2-(4-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114520460
[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81010948
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
CID 81011540
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
CID 114523496
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine?
The IUPAC name of [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine (CID 114523516) is [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine is NCC1CCCCCC1c1cccc(OC2CC2)c1.
What is the InChIKey of [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine?
The InChIKey is KBUMNHFIPZPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-12-14-5-2-1-3-8-17(14)13-6-4-7-16(11-13)19-15-9-10-15/h4,6-7,11,14-15,17H,1-3,5,8-10,12,18H2.
What are the key properties of [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine?
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine is sourced from PubChem (CID 114523516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).