6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine

C17H28ClNO — CID 83937721

IUPAC6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
SMILESCCCOc1cc(C)c(Cl)cc1C(C)CCC(N)CC
InChIInChI=1S/C17H28ClNO/c1-5-9-20-17-10-13(4)16(18)11-15(17)12(3)7-8-14(19)6-2/h10-12,14H,5-9,19H2,1-4H3
InChIKeyRZVQVJDWDKHECM-UHFFFAOYSA-N
MW297.87 g/mol
LogP5.06
Rot. Bonds8

About 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine

6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine (PubChem CID 83937721) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
PubChem CID83937721
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
SMILESCCCOc1cc(C)c(Cl)cc1C(C)CCC(N)CC
InChIInChI=1S/C17H28ClNO/c1-5-9-20-17-10-13(4)16(18)11-15(17)12(3)7-8-14(19)6-2/h10-12,14H,5-9,19H2,1-4H3
InChIKeyRZVQVJDWDKHECM-UHFFFAOYSA-N
XLogP5.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-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

5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
1-chloro-2-methyl-5-(3-methylhex-4-yn-2-yl)-4-propoxybenzene
CID 83937789
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
6-(5-chloro-4-methyl-2-propoxyphenyl)octan-3-one
CID 83937736
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine?
The IUPAC name of 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine (CID 83937721) is 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine.
What is the SMILES notation for 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine?
The canonical SMILES for 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine is CCCOc1cc(C)c(Cl)cc1C(C)CCC(N)CC.
What is the InChIKey of 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine?
The InChIKey is RZVQVJDWDKHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-5-9-20-17-10-13(4)16(18)11-15(17)12(3)7-8-14(19)6-2/h10-12,14H,5-9,19H2,1-4H3.
What are the key properties of 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine?
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine has a molecular weight of 297.87 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine is sourced from PubChem (CID 83937721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).