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

C17H27N — CID 63510315

IUPAC2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccc(C)c1C
InChIInChI=1S/C17H27N/c1-4-12-18-17-11-6-5-9-16(17)15-10-7-8-13(2)14(15)3/h7-8,10,16-18H,4-6,9,11-12H2,1-3H3
InChIKeyPZPIZNXUXKWTBG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.33
Rot. Bonds4

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

2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine (PubChem CID 63510315) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
PubChem CID63510315
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccc(C)c1C
InChIInChI=1S/C17H27N/c1-4-12-18-17-11-6-5-9-16(17)15-10-7-8-13(2)14(15)3/h7-8,10,16-18H,4-6,9,11-12H2,1-3H3
InChIKeyPZPIZNXUXKWTBG-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
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-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
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-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034688
trans-(1S,2R)-2-(2,3-dimethylphenyl)cyclopentan-1-ol
CID 91657986

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine (CID 63510315) is 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1c1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine?
The InChIKey is PZPIZNXUXKWTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-12-18-17-11-6-5-9-16(17)15-10-7-8-13(2)14(15)3/h7-8,10,16-18H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine?
2-(2,3-dimethylphenyl)-N-propylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.33, 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-propylcyclohexan-1-amine is sourced from PubChem (CID 63510315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).