N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine

C19H29NO — CID 65008712

IUPACN-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C1(CNCC(C)C)CC2(CC2)C1
InChIInChI=1S/C19H29NO/c1-14(2)10-20-13-19(11-18(12-19)7-8-18)16-9-15(3)5-6-17(16)21-4/h5-6,9,14,20H,7-8,10-13H2,1-4H3
InChIKeyWCOFPBPQQRAXAB-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.06
Rot. Bonds6

About N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65008712) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65008712
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C1(CNCC(C)C)CC2(CC2)C1
InChIInChI=1S/C19H29NO/c1-14(2)10-20-13-19(11-18(12-19)7-8-18)16-9-15(3)5-6-17(16)21-4/h5-6,9,14,20H,7-8,10-13H2,1-4H3
InChIKeyWCOFPBPQQRAXAB-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-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-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
CID 65009660
2-methoxy-N-[[1-(2-methoxy-5-methylphenyl)-3,3-dimethylcyclobutyl]methyl]ethanamine
CID 64997529
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714065
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008248
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997816
N-[[3,3-dimethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998081

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine (CID 65008712) is N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine is COc1ccc(C)cc1C1(CNCC(C)C)CC2(CC2)C1.
What is the InChIKey of N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WCOFPBPQQRAXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)10-20-13-19(11-18(12-19)7-8-18)16-9-15(3)5-6-17(16)21-4/h5-6,9,14,20H,7-8,10-13H2,1-4H3.
What are the key properties of N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65008712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).