(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine

C19H29NO — CID 115400489

IUPAC(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCOc1ccccc1NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C19H29NO/c1-5-12-21-16-9-7-6-8-15(16)20-17-18(2,3)14-10-11-19(17,4)13-14/h6-9,14,17,20H,5,10-13H2,1-4H3/t14-,17?,19+/m0/s1
InChIKeyZQXOAHDLYUCAKZ-AHMQINRISA-N
MW287.45 g/mol
LogP5.10
Rot. Bonds5

About (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine

(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400489) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115400489
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCCOc1ccccc1NC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C19H29NO/c1-5-12-21-16-9-7-6-8-15(16)20-17-18(2,3)14-10-11-19(17,4)13-14/h6-9,14,17,20H,5,10-13H2,1-4H3/t14-,17?,19+/m0/s1
InChIKeyZQXOAHDLYUCAKZ-AHMQINRISA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylcyclopentyl)-2-propoxyaniline
CID 80705624
2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998703
N-cyclohexyl-2-propoxyaniline
CID 43682292
(1R,4S)-N-(3-chloro-2-fluorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400420
4,4-dimethyl-N-(2-propoxyphenyl)thian-3-amine
CID 79948163
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
(1R,4S)-N-(2,4-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400265
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
(1R,4S)-N-[3-(methoxymethyl)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400465
(1R,4S)-N-[3-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400528
(1R,4S)-1,3,3-trimethyl-N-(2-phenylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 115400383

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine (CID 115400489) is (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine is CCCOc1ccccc1NC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZQXOAHDLYUCAKZ-AHMQINRISA-N. The full InChI is InChI=1S/C19H29NO/c1-5-12-21-16-9-7-6-8-15(16)20-17-18(2,3)14-10-11-19(17,4)13-14/h6-9,14,17,20H,5,10-13H2,1-4H3/t14-,17?,19+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).