N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine

C18H28ClN — CID 80610112

IUPACN-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)C1CCCCCCC1
InChIInChI=1S/C18H28ClN/c1-2-13-20-18(16-11-8-12-17(19)14-16)15-9-6-4-3-5-7-10-15/h8,11-12,14-15,18,20H,2-7,9-10,13H2,1H3
InChIKeyBDCFTGOHGXOALP-UHFFFAOYSA-N
MW293.88 g/mol
LogP5.74
Rot. Bonds5

About N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine

N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine (PubChem CID 80610112) has the molecular formula C18H28ClN and a molecular weight of 293.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
PubChem CID80610112
Molecular FormulaC18H28ClN
Molecular Weight293.88 g/mol
Exact Mass293.19
IUPAC NameN-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)C1CCCCCCC1
InChIInChI=1S/C18H28ClN/c1-2-13-20-18(16-11-8-12-17(19)14-16)15-9-6-4-3-5-7-10-15/h8,11-12,14-15,18,20H,2-7,9-10,13H2,1H3
InChIKeyBDCFTGOHGXOALP-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.88
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine (CID 80610112) is N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)C1CCCCCCC1.
What is the InChIKey of N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine?
The InChIKey is BDCFTGOHGXOALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN/c1-2-13-20-18(16-11-8-12-17(19)14-16)15-9-6-4-3-5-7-10-15/h8,11-12,14-15,18,20H,2-7,9-10,13H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine?
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine has a molecular weight of 293.88 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine is sourced from PubChem (CID 80610112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).