4-(4-heptylphenoxy)butan-1-amine

C17H29NO — CID 164576429

IUPAC4-(4-heptylphenoxy)butan-1-amine
SMILESCCCCCCCc1ccc(OCCCCN)cc1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-9-16-10-12-17(13-11-16)19-15-8-7-14-18/h10-13H,2-9,14-15,18H2,1H3
InChIKeyRBPGSLFDSXVPME-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.32
Rot. Bonds11

About 4-(4-heptylphenoxy)butan-1-amine

4-(4-heptylphenoxy)butan-1-amine (PubChem CID 164576429) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(4-heptylphenoxy)butan-1-amine.

Molecular Properties

Compound Name4-(4-heptylphenoxy)butan-1-amine
PubChem CID164576429
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(4-heptylphenoxy)butan-1-amine
SMILESCCCCCCCc1ccc(OCCCCN)cc1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-9-16-10-12-17(13-11-16)19-15-8-7-14-18/h10-13H,2-9,14-15,18H2,1H3
InChIKeyRBPGSLFDSXVPME-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-heptylphenoxy)butan-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

3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179
1-hexoxy-4-pentylbenzene
CID 54277450
2-(4-heptylphenoxy)ethanamine;hydrochloride
CID 164576424
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-nonoxy-4-propylbenzene
CID 118632119
1-(8-bromooctoxy)-4-octylbenzene
CID 71362088
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
(4-decoxyphenyl)methanamine
CID 55187501
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467

Frequently Asked Questions

What is the IUPAC name of 4-(4-heptylphenoxy)butan-1-amine?
The IUPAC name of 4-(4-heptylphenoxy)butan-1-amine (CID 164576429) is 4-(4-heptylphenoxy)butan-1-amine.
What is the SMILES notation for 4-(4-heptylphenoxy)butan-1-amine?
The canonical SMILES for 4-(4-heptylphenoxy)butan-1-amine is CCCCCCCc1ccc(OCCCCN)cc1.
What is the InChIKey of 4-(4-heptylphenoxy)butan-1-amine?
The InChIKey is RBPGSLFDSXVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-4-5-6-9-16-10-12-17(13-11-16)19-15-8-7-14-18/h10-13H,2-9,14-15,18H2,1H3.
What are the key properties of 4-(4-heptylphenoxy)butan-1-amine?
4-(4-heptylphenoxy)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-heptylphenoxy)butan-1-amine is sourced from PubChem (CID 164576429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).