3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine

C18H30N2O — CID 103060387

IUPAC3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CCc1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-11-19-18-10-13-21-15-17(18)14-20(2)12-9-16-7-5-4-6-8-16/h4-8,17-19H,3,9-15H2,1-2H3
InChIKeyMEMDWVYCPWVISP-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.57
Rot. Bonds8

About 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine

3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine (PubChem CID 103060387) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
PubChem CID103060387
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CCc1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-11-19-18-10-13-21-15-17(18)14-20(2)12-9-16-7-5-4-6-8-16/h4-8,17-19H,3,9-15H2,1-2H3
InChIKeyMEMDWVYCPWVISP-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-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

3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103060644
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
CID 106469582
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
CID 65488170
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
CID 65485884

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine (CID 103060387) is 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN(C)CCc1ccccc1.
What is the InChIKey of 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine?
The InChIKey is MEMDWVYCPWVISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-19-18-10-13-21-15-17(18)14-20(2)12-9-16-7-5-4-6-8-16/h4-8,17-19H,3,9-15H2,1-2H3.
What are the key properties of 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine?
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine has a molecular weight of 290.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103060387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).