2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine

C18H29N — CID 55195174

IUPAC2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1cccc(C)c1C
InChIInChI=1S/C18H29N/c1-4-13-19-18-12-7-5-6-10-17(18)16-11-8-9-14(2)15(16)3/h8-9,11,17-19H,4-7,10,12-13H2,1-3H3
InChIKeyBUMOLUMNCDLZIF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.72
Rot. Bonds4

About 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine

2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine (PubChem CID 55195174) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
PubChem CID55195174
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1cccc(C)c1C
InChIInChI=1S/C18H29N/c1-4-13-19-18-12-7-5-6-10-17(18)16-11-8-9-14(2)15(16)3/h8-9,11,17-19H,4-7,10,12-13H2,1-3H3
InChIKeyBUMOLUMNCDLZIF-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
CID 63510315
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
CID 102755798
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
N-propyl-2-thiophen-2-ylcyclohexan-1-amine
CID 62603861
cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 10358996
2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
CID 107657388
(2,3-dimethylphenyl)cyclodecane
CID 21161883

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine (CID 55195174) is 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1c1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine?
The InChIKey is BUMOLUMNCDLZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-13-19-18-12-7-5-6-10-17(18)16-11-8-9-14(2)15(16)3/h8-9,11,17-19H,4-7,10,12-13H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine?
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 55195174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).