N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine

C16H28N2O — CID 62435578

IUPACN-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
SMILESCCNCCCCCN(C)Cc1ccccc1OC
InChIInChI=1S/C16H28N2O/c1-4-17-12-8-5-9-13-18(2)14-15-10-6-7-11-16(15)19-3/h6-7,10-11,17H,4-5,8-9,12-14H2,1-3H3
InChIKeyMIJNAWOXDPQOEX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.91
Rot. Bonds10

About N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine

N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine (PubChem CID 62435578) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
PubChem CID62435578
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
SMILESCCNCCCCCN(C)Cc1ccccc1OC
InChIInChI=1S/C16H28N2O/c1-4-17-12-8-5-9-13-18(2)14-15-10-6-7-11-16(15)19-3/h6-7,10-11,17H,4-5,8-9,12-14H2,1-3H3
InChIKeyMIJNAWOXDPQOEX-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 62017038
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
The IUPAC name of N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine (CID 62435578) is N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
The canonical SMILES for N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine is CCNCCCCCN(C)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
The InChIKey is MIJNAWOXDPQOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-17-12-8-5-9-13-18(2)14-15-10-6-7-11-16(15)19-3/h6-7,10-11,17H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine?
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 62435578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).