N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine

C16H15Cl4N — CID 43497710

IUPACN-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl4N/c1-2-7-21-16(12-8-10(17)3-5-14(12)19)13-9-11(18)4-6-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyIPVLMPOTQIJEGK-UHFFFAOYSA-N
MW363.12 g/mol
LogP6.39
Rot. Bonds5

About N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine

N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine (PubChem CID 43497710) has the molecular formula C16H15Cl4N and a molecular weight of 363.12 g/mol. Its IUPAC name is N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
PubChem CID43497710
Molecular FormulaC16H15Cl4N
Molecular Weight363.12 g/mol
Exact Mass361.00
IUPAC NameN-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl4N/c1-2-7-21-16(12-8-10(17)3-5-14(12)19)13-9-11(18)4-6-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyIPVLMPOTQIJEGK-UHFFFAOYSA-N
XLogP6.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.12
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497695
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045

Frequently Asked Questions

What is the IUPAC name of N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine (CID 43497710) is N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is IPVLMPOTQIJEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl4N/c1-2-7-21-16(12-8-10(17)3-5-14(12)19)13-9-11(18)4-6-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine?
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 363.12 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).