N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine

C19H30N2O — CID 84746004

IUPACN-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine
SMILESC=CCNCc1ccc(CN(C)C2CCCCC2)cc1OC
InChIInChI=1S/C19H30N2O/c1-4-12-20-14-17-11-10-16(13-19(17)22-3)15-21(2)18-8-6-5-7-9-18/h4,10-11,13,18,20H,1,5-9,12,14-15H2,2-3H3
InChIKeyQUCCAHWLAPKJAC-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.74
Rot. Bonds8

About N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine

N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine (PubChem CID 84746004) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine
PubChem CID84746004
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine
SMILESC=CCNCc1ccc(CN(C)C2CCCCC2)cc1OC
InChIInChI=1S/C19H30N2O/c1-4-12-20-14-17-11-10-16(13-19(17)22-3)15-21(2)18-8-6-5-7-9-18/h4,10-11,13,18,20H,1,5-9,12,14-15H2,2-3H3
InChIKeyQUCCAHWLAPKJAC-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine 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-[[4-(azepan-1-ylmethyl)-2-methoxyphenyl]methyl]prop-2-en-1-amine
CID 84750707
N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
CID 84745947
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419
N-[(2,4-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4722371
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
CID 62017781
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207
4-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788695
4-[[cyclopentyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788720
N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 84746048
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
N-[(2,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6461052

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine (CID 84746004) is N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine is C=CCNCc1ccc(CN(C)C2CCCCC2)cc1OC.
What is the InChIKey of N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine?
The InChIKey is QUCCAHWLAPKJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-12-20-14-17-11-10-16(13-19(17)22-3)15-21(2)18-8-6-5-7-9-18/h4,10-11,13,18,20H,1,5-9,12,14-15H2,2-3H3.
What are the key properties of N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine?
N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine has a molecular weight of 302.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 84746004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).