(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine

C17H27NO — CID 116769915

IUPAC(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)c2cc(C)cc(C)c2)CCCCCC1
InChIInChI=1S/C17H27NO/c1-13-10-14(2)12-15(11-13)16(18)17(19-3)8-6-4-5-7-9-17/h10-12,16H,4-9,18H2,1-3H3
InChIKeyVUDQDIKPWNUSNU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.04
Rot. Bonds3

About (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine

(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine (PubChem CID 116769915) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
PubChem CID116769915
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)c2cc(C)cc(C)c2)CCCCCC1
InChIInChI=1S/C17H27NO/c1-13-10-14(2)12-15(11-13)16(18)17(19-3)8-6-4-5-7-9-17/h10-12,16H,4-9,18H2,1-3H3
InChIKeyVUDQDIKPWNUSNU-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
[(3,5-dimethylphenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268838
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065979
[(3-fluoro-5-methylphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105276174
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105275994
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine (CID 116769915) is (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine is COC1(C(N)c2cc(C)cc(C)c2)CCCCCC1.
What is the InChIKey of (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine?
The InChIKey is VUDQDIKPWNUSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-10-14(2)12-15(11-13)16(18)17(19-3)8-6-4-5-7-9-17/h10-12,16H,4-9,18H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine?
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine is sourced from PubChem (CID 116769915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).