N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine

C16H23Cl2N — CID 114981576

IUPACN-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-8-19-16(12-6-4-3-5-7-12)13-9-14(17)11-15(18)10-13/h9-12,16,19H,2-8H2,1H3
InChIKeyBTHBETIEUASZEA-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.61
Rot. Bonds5

About N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine

N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine (PubChem CID 114981576) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
PubChem CID114981576
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H23Cl2N/c1-2-8-19-16(12-6-4-3-5-7-12)13-9-14(17)11-15(18)10-13/h9-12,16,19H,2-8H2,1H3
InChIKeyBTHBETIEUASZEA-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686
N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
CID 114980853
N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193
N-[(3-bromo-5-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107945816
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine (CID 114981576) is N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is BTHBETIEUASZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-8-19-16(12-6-4-3-5-7-12)13-9-14(17)11-15(18)10-13/h9-12,16,19H,2-8H2,1H3.
What are the key properties of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine?
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 300.27 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 N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 114981576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).