4-(4-hexoxyphenyl)heptan-1-amine

C19H33NO — CID 83932661

IUPAC4-(4-hexoxyphenyl)heptan-1-amine
SMILESCCCCCCOc1ccc(C(CCC)CCCN)cc1
InChIInChI=1S/C19H33NO/c1-3-5-6-7-16-21-19-13-11-18(12-14-19)17(9-4-2)10-8-15-20/h11-14,17H,3-10,15-16,20H2,1-2H3
InChIKeyLGJWWHNRKKARHS-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.27
Rot. Bonds12

About 4-(4-hexoxyphenyl)heptan-1-amine

4-(4-hexoxyphenyl)heptan-1-amine (PubChem CID 83932661) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-(4-hexoxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(4-hexoxyphenyl)heptan-1-amine
PubChem CID83932661
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name4-(4-hexoxyphenyl)heptan-1-amine
SMILESCCCCCCOc1ccc(C(CCC)CCCN)cc1
InChIInChI=1S/C19H33NO/c1-3-5-6-7-16-21-19-13-11-18(12-14-19)17(9-4-2)10-8-15-20/h11-14,17H,3-10,15-16,20H2,1-2H3
InChIKeyLGJWWHNRKKARHS-UHFFFAOYSA-N
XLogP5.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
CID 19885129
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-[2-(4-pentoxyphenyl)butyl]propane-1,3-diamine
CID 83932541
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
4-(4-propylphenyl)heptan-1-amine
CID 83921500
1,4-dipentoxybenzene
CID 18314717
2-[4-(4-octoxyphenyl)phenyl]propane-1,3-diol
CID 70414830
bis(4-octoxyphenyl)methanol
CID 139262063

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexoxyphenyl)heptan-1-amine?
The IUPAC name of 4-(4-hexoxyphenyl)heptan-1-amine (CID 83932661) is 4-(4-hexoxyphenyl)heptan-1-amine.
What is the SMILES notation for 4-(4-hexoxyphenyl)heptan-1-amine?
The canonical SMILES for 4-(4-hexoxyphenyl)heptan-1-amine is CCCCCCOc1ccc(C(CCC)CCCN)cc1.
What is the InChIKey of 4-(4-hexoxyphenyl)heptan-1-amine?
The InChIKey is LGJWWHNRKKARHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-5-6-7-16-21-19-13-11-18(12-14-19)17(9-4-2)10-8-15-20/h11-14,17H,3-10,15-16,20H2,1-2H3.
What are the key properties of 4-(4-hexoxyphenyl)heptan-1-amine?
4-(4-hexoxyphenyl)heptan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.27, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexoxyphenyl)heptan-1-amine is sourced from PubChem (CID 83932661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).