4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine

C16H26Cl2N2 — CID 43080551

IUPAC4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H26Cl2N2/c1-4-20(5-2)10-6-7-13(3)19-12-14-8-9-15(17)16(18)11-14/h8-9,11,13,19H,4-7,10,12H2,1-3H3
InChIKeyPDAZIDMDTINTGI-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.59
Rot. Bonds9

About 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 43080551) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID43080551
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC Name4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H26Cl2N2/c1-4-20(5-2)10-6-7-13(3)19-12-14-8-9-15(17)16(18)11-14/h8-9,11,13,19H,4-7,10,12H2,1-3H3
InChIKeyPDAZIDMDTINTGI-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
1-bromo-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 107859511
N-[(3,4-dichlorophenyl)methyl]pent-4-yn-2-amine
CID 115660206
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
CID 3653274
1-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 111000154
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine (CID 43080551) is 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is PDAZIDMDTINTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N2/c1-4-20(5-2)10-6-7-13(3)19-12-14-8-9-15(17)16(18)11-14/h8-9,11,13,19H,4-7,10,12H2,1-3H3.
What are the key properties of 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 317.30 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 43080551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).