N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride

C19H36Cl2N2O — CID 17214523

IUPACN',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCCCCN(CCCC)CCCNCc1ccccc1OC.Cl.Cl
InChIInChI=1S/C19H34N2O.2ClH/c1-4-6-14-21(15-7-5-2)16-10-13-20-17-18-11-8-9-12-19(18)22-3;;/h8-9,11-12,20H,4-7,10,13-17H2,1-3H3;2*1H
InChIKeyFTGCEWPCTWSERQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.92
Rot. Bonds13

About N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride

N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride (PubChem CID 17214523) has the molecular formula C19H36Cl2N2O and a molecular weight of 379.42 g/mol. Its IUPAC name is N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
PubChem CID17214523
Molecular FormulaC19H36Cl2N2O
Molecular Weight379.42 g/mol
Exact Mass378.22
IUPAC NameN',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
SMILESCCCCN(CCCC)CCCNCc1ccccc1OC.Cl.Cl
InChIInChI=1S/C19H34N2O.2ClH/c1-4-6-14-21(15-7-5-2)16-10-13-20-17-18-11-8-9-12-19(18)22-3;;/h8-9,11-12,20H,4-7,10,13-17H2,1-3H3;2*1H
InChIKeyFTGCEWPCTWSERQ-UHFFFAOYSA-N
XLogP4.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.92
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',N'-dibutyl-N-[(2,3-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214645
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N',N'-dibutyl-N-[(2-methylphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214735
N',N'-dibutyl-N-[(3,4-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214443
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dibutylpropane-1,3-diamine;dihydrochloride
CID 17214854
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride (CID 17214523) is N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride is CCCCN(CCCC)CCCNCc1ccccc1OC.Cl.Cl.
What is the InChIKey of N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
The InChIKey is FTGCEWPCTWSERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O.2ClH/c1-4-6-14-21(15-7-5-2)16-10-13-20-17-18-11-8-9-12-19(18)22-3;;/h8-9,11-12,20H,4-7,10,13-17H2,1-3H3;2*1H.
What are the key properties of N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride?
N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride has a molecular weight of 379.42 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 17214523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).