(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine

C16H23Cl2N — CID 65423953

IUPAC(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N/c1-2-3-11-4-6-12(7-5-11)16(19)14-10-13(17)8-9-15(14)18/h8-12,16H,2-7,19H2,1H3
InChIKeyHXDYHBKSLYESFQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.60
Rot. Bonds4

About (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine

(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine (PubChem CID 65423953) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
PubChem CID65423953
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H23Cl2N/c1-2-3-11-4-6-12(7-5-11)16(19)14-10-13(17)8-9-15(14)18/h8-12,16H,2-7,19H2,1H3
InChIKeyHXDYHBKSLYESFQ-UHFFFAOYSA-N
XLogP5.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65422989
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105142294
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65423175
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
CID 63444578
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine (CID 65423953) is (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(N)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine?
The InChIKey is HXDYHBKSLYESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-3-11-4-6-12(7-5-11)16(19)14-10-13(17)8-9-15(14)18/h8-12,16H,2-7,19H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine?
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine has a molecular weight of 300.27 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 65423953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).