(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine

C15H21Cl2NO — CID 116769975

IUPAC(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)c2cccc(Cl)c2Cl)CCCCCC1
InChIInChI=1S/C15H21Cl2NO/c1-19-15(9-4-2-3-5-10-15)14(18)11-7-6-8-12(16)13(11)17/h6-8,14H,2-5,9-10,18H2,1H3
InChIKeyNKMFPEZFRKXFLG-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.73
Rot. Bonds3

About (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine

(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine (PubChem CID 116769975) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
PubChem CID116769975
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)c2cccc(Cl)c2Cl)CCCCCC1
InChIInChI=1S/C15H21Cl2NO/c1-19-15(9-4-2-3-5-10-15)14(18)11-7-6-8-12(16)13(11)17/h6-8,14H,2-5,9-10,18H2,1H3
InChIKeyNKMFPEZFRKXFLG-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769102
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
(1-methoxycycloheptyl)-quinolin-5-ylmethanamine
CID 116769844
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 107360272
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
CID 106646099
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
[2-(2,3-dichlorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 107312778
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine (CID 116769975) is (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine is COC1(C(N)c2cccc(Cl)c2Cl)CCCCCC1.
What is the InChIKey of (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine?
The InChIKey is NKMFPEZFRKXFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-19-15(9-4-2-3-5-10-15)14(18)11-7-6-8-12(16)13(11)17/h6-8,14H,2-5,9-10,18H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine?
(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine has a molecular weight of 302.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine is sourced from PubChem (CID 116769975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).