1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine

C23H34N2O — CID 3653274

IUPAC1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H34N2O/c1-4-25(5-2)17-9-10-20(3)24-18-21-13-15-23(16-14-21)26-19-22-11-7-6-8-12-22/h6-8,11-16,20,24H,4-5,9-10,17-19H2,1-3H3
InChIKeyFXIKQYDFQJYUFS-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.87
Rot. Bonds12

About 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine (PubChem CID 3653274) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
PubChem CID3653274
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H34N2O/c1-4-25(5-2)17-9-10-20(3)24-18-21-13-15-23(16-14-21)26-19-22-11-7-6-8-12-22/h6-8,11-16,20,24H,4-5,9-10,17-19H2,1-3H3
InChIKeyFXIKQYDFQJYUFS-UHFFFAOYSA-N
XLogP4.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 7145250
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
N',N'-dibutyl-N-[(4-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214463
(2R)-N-benzylheptan-2-amine
CID 14923313
1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42700707
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
CID 42700694
N'-butyl-N'-heptyl-N-[(4-phenylmethoxyphenyl)methyl]ethane-1,2-diamine
CID 142139849
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine (CID 3653274) is 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
The InChIKey is FXIKQYDFQJYUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-4-25(5-2)17-9-10-20(3)24-18-21-13-15-23(16-14-21)26-19-22-11-7-6-8-12-22/h6-8,11-16,20,24H,4-5,9-10,17-19H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine has a molecular weight of 354.54 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 3653274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).