2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine

C16H28N2O — CID 115203390

IUPAC2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
SMILESCC(CN)CCNCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)19-16-6-4-15(5-7-16)9-11-18-10-8-14(3)12-17/h4-7,13-14,18H,8-12,17H2,1-3H3
InChIKeyRFDPBCFOQHXGBR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.59
Rot. Bonds9

About 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine

2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine (PubChem CID 115203390) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
PubChem CID115203390
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
SMILESCC(CN)CCNCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-13(2)19-16-6-4-15(5-7-16)9-11-18-10-8-14(3)12-17/h4-7,13-14,18H,8-12,17H2,1-3H3
InChIKeyRFDPBCFOQHXGBR-UHFFFAOYSA-N
XLogP2.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-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

2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
3-methyl-5-(4-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 65304249
3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801
3-[2-(4-propan-2-yloxyphenyl)ethylamino]propane-1-thiol
CID 115225125
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
2-[[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]butan-1-ol
CID 115251014
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115180759
N'-[2-(3-bromophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115203423
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine?
The IUPAC name of 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine (CID 115203390) is 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine?
The canonical SMILES for 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine is CC(CN)CCNCCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine?
The InChIKey is RFDPBCFOQHXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)19-16-6-4-15(5-7-16)9-11-18-10-8-14(3)12-17/h4-7,13-14,18H,8-12,17H2,1-3H3.
What are the key properties of 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine?
2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115203390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).