N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline

C19H32N2O — CID 84749081

IUPACN-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C2CCCCC2)c(OCC)c1
InChIInChI=1S/C19H32N2O/c1-4-13-20-15-16-11-12-18(19(14-16)22-5-2)21(3)17-9-7-6-8-10-17/h11-12,14,17,20H,4-10,13,15H2,1-3H3
InChIKeyUBHQJZQRDBGHGP-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.35
Rot. Bonds8

About N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline

N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline (PubChem CID 84749081) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
PubChem CID84749081
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C2CCCCC2)c(OCC)c1
InChIInChI=1S/C19H32N2O/c1-4-13-20-15-16-11-12-18(19(14-16)22-5-2)21(3)17-9-7-6-8-10-17/h11-12,14,17,20H,4-10,13,15H2,1-3H3
InChIKeyUBHQJZQRDBGHGP-UHFFFAOYSA-N
XLogP4.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84749573
2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
CID 84749569
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline (CID 84749081) is N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(C)C2CCCCC2)c(OCC)c1.
What is the InChIKey of N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
The InChIKey is UBHQJZQRDBGHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-13-20-15-16-11-12-18(19(14-16)22-5-2)21(3)17-9-7-6-8-10-17/h11-12,14,17,20H,4-10,13,15H2,1-3H3.
What are the key properties of N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline?
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline has a molecular weight of 304.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 84749081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).