2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine

C18H30ClN — CID 63522273

IUPAC2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
SMILESCCCCC(CC)CC(CNC)Cc1cccc(Cl)c1
InChIInChI=1S/C18H30ClN/c1-4-6-8-15(5-2)11-17(14-20-3)12-16-9-7-10-18(19)13-16/h7,9-10,13,15,17,20H,4-6,8,11-12,14H2,1-3H3
InChIKeyGDFUUGGBHUZRHI-UHFFFAOYSA-N
MW295.90 g/mol
LogP5.32
Rot. Bonds10

About 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine

2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine (PubChem CID 63522273) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
PubChem CID63522273
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
SMILESCCCCC(CC)CC(CNC)Cc1cccc(Cl)c1
InChIInChI=1S/C18H30ClN/c1-4-6-8-15(5-2)11-17(14-20-3)12-16-9-7-10-18(19)13-16/h7,9-10,13,15,17,20H,4-6,8,11-12,14H2,1-3H3
InChIKeyGDFUUGGBHUZRHI-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
CID 66059498
2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79443182
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236
2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
CID 63522817
2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
CID 63522633
2-benzyl-N-methylhexan-1-amine
CID 62529253
1-chloro-3-[2-(chloromethyl)octyl]benzene
CID 66047919
1-[2-(bromomethyl)octyl]-3-chlorobenzene
CID 66042522
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
1-[2-(chloromethyl)-4-ethyloctyl]-3-fluorobenzene
CID 66047696
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine (CID 63522273) is 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine is CCCCC(CC)CC(CNC)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine?
The InChIKey is GDFUUGGBHUZRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-4-6-8-15(5-2)11-17(14-20-3)12-16-9-7-10-18(19)13-16/h7,9-10,13,15,17,20H,4-6,8,11-12,14H2,1-3H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine?
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine has a molecular weight of 295.90 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine is sourced from PubChem (CID 63522273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).