N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine

C15H21Cl2N — CID 81023564

IUPACN-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N/c1-15(2,7-8-18-13-4-5-13)10-11-9-12(16)3-6-14(11)17/h3,6,9,13,18H,4-5,7-8,10H2,1-2H3
InChIKeyNIZYDAMAWDOYEZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.70
Rot. Bonds6

About N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine

N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 81023564) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
PubChem CID81023564
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N/c1-15(2,7-8-18-13-4-5-13)10-11-9-12(16)3-6-14(11)17/h3,6,9,13,18H,4-5,7-8,10H2,1-2H3
InChIKeyNIZYDAMAWDOYEZ-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 65317346
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023434
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023036
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
2-cyclopropyl-3-(2,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83160271
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine (CID 81023564) is N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine is CC(C)(CCNC1CC1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is NIZYDAMAWDOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-15(2,7-8-18-13-4-5-13)10-11-9-12(16)3-6-14(11)17/h3,6,9,13,18H,4-5,7-8,10H2,1-2H3.
What are the key properties of N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine?
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 286.25 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81023564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).