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

C17H28ClNO — CID 83937769

IUPAC5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
SMILESCCCOc1cc(C)c(Cl)cc1C(CC)CCC(C)N
InChIInChI=1S/C17H28ClNO/c1-5-9-20-17-10-12(3)16(18)11-15(17)14(6-2)8-7-13(4)19/h10-11,13-14H,5-9,19H2,1-4H3
InChIKeyGMVRORZQKVDOPX-UHFFFAOYSA-N
MW297.87 g/mol
LogP5.06
Rot. Bonds8

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

5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine (PubChem CID 83937769) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine.

Molecular Properties

Compound Name5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
PubChem CID83937769
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
SMILESCCCOc1cc(C)c(Cl)cc1C(CC)CCC(C)N
InChIInChI=1S/C17H28ClNO/c1-5-9-20-17-10-12(3)16(18)11-15(17)14(6-2)8-7-13(4)19/h10-11,13-14H,5-9,19H2,1-4H3
InChIKeyGMVRORZQKVDOPX-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

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Related Compounds

6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
6-(5-chloro-4-methyl-2-propoxyphenyl)octan-3-one
CID 83937736
5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
5-(5-chloro-2-ethoxy-4-methylphenyl)heptane-2,3-diol
CID 83937694
5-(5-chloro-4-methyl-2-propoxyphenyl)hexane-2,3-diol
CID 83937822
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
1-chloro-2-methyl-5-(3-methylhex-4-yn-2-yl)-4-propoxybenzene
CID 83937789
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine?
The IUPAC name of 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine (CID 83937769) is 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine.
What is the SMILES notation for 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine?
The canonical SMILES for 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine is CCCOc1cc(C)c(Cl)cc1C(CC)CCC(C)N.
What is the InChIKey of 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine?
The InChIKey is GMVRORZQKVDOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-5-9-20-17-10-12(3)16(18)11-15(17)14(6-2)8-7-13(4)19/h10-11,13-14H,5-9,19H2,1-4H3.
What are the key properties of 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine?
5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-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 5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine is sourced from PubChem (CID 83937769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).