N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine

C16H28N2O — CID 62618075

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCN(CC(C)C(N)c1ccccc1)C(C)COC
InChIInChI=1S/C16H28N2O/c1-5-18(14(3)12-19-4)11-13(2)16(17)15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12,17H2,1-4H3
InChIKeySABUIBIHTBUDIT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds8

About N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62618075) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
PubChem CID62618075
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
SMILESCCN(CC(C)C(N)c1ccccc1)C(C)COC
InChIInChI=1S/C16H28N2O/c1-5-18(14(3)12-19-4)11-13(2)16(17)15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12,17H2,1-4H3
InChIKeySABUIBIHTBUDIT-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine 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'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
2-methyl-1-phenyl-4-propan-2-yloxybutan-1-amine
CID 104845224

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine (CID 62618075) is N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine is CCN(CC(C)C(N)c1ccccc1)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is SABUIBIHTBUDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(14(3)12-19-4)11-13(2)16(17)15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12,17H2,1-4H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62618075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).