4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine

C17H25Cl2N — CID 65318007

IUPAC4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H25Cl2N/c1-2-3-4-13-7-9-17(20,10-8-13)12-14-11-15(18)5-6-16(14)19/h5-6,11,13H,2-4,7-10,12,20H2,1H3
InChIKeyAONPYXAYGSSOQS-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.61
Rot. Bonds5

About 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine

4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 65318007) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID65318007
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H25Cl2N/c1-2-3-4-13-7-9-17(20,10-8-13)12-14-11-15(18)5-6-16(14)19/h5-6,11,13H,2-4,7-10,12,20H2,1H3
InChIKeyAONPYXAYGSSOQS-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
CID 65317862
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65317057
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
4-butyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexan-1-amine
CID 65020287
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407468
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine (CID 65318007) is 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine is CCCCC1CCC(N)(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is AONPYXAYGSSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-2-3-4-13-7-9-17(20,10-8-13)12-14-11-15(18)5-6-16(14)19/h5-6,11,13H,2-4,7-10,12,20H2,1H3.
What are the key properties of 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine?
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65318007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).