N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C16H28N2 — CID 106040849

IUPACN-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccccc1CNCCCN(C)C(C)C
InChIInChI=1S/C16H28N2/c1-5-15-9-6-7-10-16(15)13-17-11-8-12-18(4)14(2)3/h6-7,9-10,14,17H,5,8,11-13H2,1-4H3
InChIKeyODRSNZDNQRAWEM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.07
Rot. Bonds8

About N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106040849) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106040849
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccccc1CNCCCN(C)C(C)C
InChIInChI=1S/C16H28N2/c1-5-15-9-6-7-10-16(15)13-17-11-8-12-18(4)14(2)3/h6-7,9-10,14,17H,5,8,11-13H2,1-4H3
InChIKeyODRSNZDNQRAWEM-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103614549
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751
[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
CID 106045460

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106040849) is N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CCc1ccccc1CNCCCN(C)C(C)C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ODRSNZDNQRAWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-15-9-6-7-10-16(15)13-17-11-8-12-18(4)14(2)3/h6-7,9-10,14,17H,5,8,11-13H2,1-4H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106040849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).