(1-methoxycycloheptyl)-(3-methylphenyl)methanamine

C16H25NO — CID 116769914

IUPAC(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
SMILESCOC1(C(N)c2cccc(C)c2)CCCCCC1
InChIInChI=1S/C16H25NO/c1-13-8-7-9-14(12-13)15(17)16(18-2)10-5-3-4-6-11-16/h7-9,12,15H,3-6,10-11,17H2,1-2H3
InChIKeyDYEKIALMKLCRPD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.73
Rot. Bonds3

About (1-methoxycycloheptyl)-(3-methylphenyl)methanamine

(1-methoxycycloheptyl)-(3-methylphenyl)methanamine (PubChem CID 116769914) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
PubChem CID116769914
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
SMILESCOC1(C(N)c2cccc(C)c2)CCCCCC1
InChIInChI=1S/C16H25NO/c1-13-8-7-9-14(12-13)15(17)16(18-2)10-5-3-4-6-11-16/h7-9,12,15H,3-6,10-11,17H2,1-2H3
InChIKeyDYEKIALMKLCRPD-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116714051
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
(1-methoxycyclopentyl)-quinolin-6-ylmethanamine
CID 104610565
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol
CID 82395841

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(3-methylphenyl)methanamine?
The IUPAC name of (1-methoxycycloheptyl)-(3-methylphenyl)methanamine (CID 116769914) is (1-methoxycycloheptyl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (1-methoxycycloheptyl)-(3-methylphenyl)methanamine?
The canonical SMILES for (1-methoxycycloheptyl)-(3-methylphenyl)methanamine is COC1(C(N)c2cccc(C)c2)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(3-methylphenyl)methanamine?
The InChIKey is DYEKIALMKLCRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-7-9-14(12-13)15(17)16(18-2)10-5-3-4-6-11-16/h7-9,12,15H,3-6,10-11,17H2,1-2H3.
What are the key properties of (1-methoxycycloheptyl)-(3-methylphenyl)methanamine?
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 116769914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).