N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine

C18H24N2O — CID 54806264

IUPACN'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)Oc1ccc(CNCCNc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-15(2)21-18-10-8-16(9-11-18)14-19-12-13-20-17-6-4-3-5-7-17/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyKRHOLPGKYVSCHU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.68
Rot. Bonds8

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

N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 54806264) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
PubChem CID54806264
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
SMILESCC(C)Oc1ccc(CNCCNc2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-15(2)21-18-10-8-16(9-11-18)14-19-12-13-20-17-6-4-3-5-7-17/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyKRHOLPGKYVSCHU-UHFFFAOYSA-N
XLogP3.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807029
N'-[3-(2-methylpropoxy)phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808556
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N'-(3-heptoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808048
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
N'-(2,5-dimethylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807439
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445
3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 39360354
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine (CID 54806264) is N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is CC(C)Oc1ccc(CNCCNc2ccccc2)cc1.
What is the InChIKey of N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is KRHOLPGKYVSCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(2)21-18-10-8-16(9-11-18)14-19-12-13-20-17-6-4-3-5-7-17/h3-11,15,19-20H,12-14H2,1-2H3.
What are the key properties of N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine?
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 54806264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).