1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine

C19H26ClN — CID 114874516

IUPAC1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H26ClN/c1-4-12-21-19(13-14(3)5-2)17-10-11-18(20)16-9-7-6-8-15(16)17/h6-11,14,19,21H,4-5,12-13H2,1-3H3
InChIKeyFOMUZWAMGPSNST-UHFFFAOYSA-N
MW303.88 g/mol
LogP5.97
Rot. Bonds7

About 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine

1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874516) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874516
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H26ClN/c1-4-12-21-19(13-14(3)5-2)17-10-11-18(20)16-9-7-6-8-15(16)17/h6-11,14,19,21H,4-5,12-13H2,1-3H3
InChIKeyFOMUZWAMGPSNST-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 79596816
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
N-[1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethyl]propan-1-amine
CID 79591684
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
3-methyl-1-(2-methylnaphthalen-1-yl)-N-propylpentan-1-amine
CID 114874570
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine (CID 114874516) is 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is FOMUZWAMGPSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-4-12-21-19(13-14(3)5-2)17-10-11-18(20)16-9-7-6-8-15(16)17/h6-11,14,19,21H,4-5,12-13H2,1-3H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine?
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 303.88 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).