N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C18H27NO2 — CID 63418869

IUPACN-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(NC2CC3CCC2(C)C3(C)C)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-17(2)12-8-9-18(17,3)16(10-12)19-14-7-6-13(20-4)11-15(14)21-5/h6-7,11-12,16,19H,8-10H2,1-5H3
InChIKeyKJTNIGSJTZDZSM-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.33
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 63418869) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID63418869
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(NC2CC3CCC2(C)C3(C)C)c(OC)c1
InChIInChI=1S/C18H27NO2/c1-17(2)12-8-9-18(17,3)16(10-12)19-14-7-6-13(20-4)11-15(14)21-5/h6-7,11-12,16,19H,8-10H2,1-5H3
InChIKeyKJTNIGSJTZDZSM-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63422790
N-(4-bromo-3-methoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82857334
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
(1R,4S)-N-(2,4-dimethoxyphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400254
N-(2-bromo-4-chlorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81264327
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
(1S,2S,4S)-1,7,7-trimethyl-2-[4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 99978546
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55197879
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 63418869) is N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is COc1ccc(NC2CC3CCC2(C)C3(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is KJTNIGSJTZDZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2)12-8-9-18(17,3)16(10-12)19-14-7-6-13(20-4)11-15(14)21-5/h6-7,11-12,16,19H,8-10H2,1-5H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63418869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).