N-hexan-2-yl-4-propoxyaniline

C15H25NO — CID 21311820

IUPACN-hexan-2-yl-4-propoxyaniline
SMILESCCCCC(C)Nc1ccc(OCCC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-7-13(3)16-14-8-10-15(11-9-14)17-12-5-2/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyYFDYGNDROBYTPF-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.47
Rot. Bonds8

About N-hexan-2-yl-4-propoxyaniline

N-hexan-2-yl-4-propoxyaniline (PubChem CID 21311820) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-hexan-2-yl-4-propoxyaniline.

Molecular Properties

Compound NameN-hexan-2-yl-4-propoxyaniline
PubChem CID21311820
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-hexan-2-yl-4-propoxyaniline
SMILESCCCCC(C)Nc1ccc(OCCC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-7-13(3)16-14-8-10-15(11-9-14)17-12-5-2/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyYFDYGNDROBYTPF-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-hexan-2-yl-4-propoxyaniline 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

N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
N-hexan-2-yl-4-[[4-(hexan-2-ylamino)phenoxy]methoxy]aniline
CID 161243666
N-butan-2-yl-4-propoxyaniline
CID 21311789
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-(1-ethylsulfonylpropan-2-yl)-4-propoxyaniline
CID 115922546
4-(2-aminoethoxy)-N-pentan-2-ylaniline
CID 107886099
4-(2-methoxyethoxy)-N-pentan-2-ylaniline
CID 43734198
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
N-heptan-2-yl-3-propoxyaniline
CID 43693607
N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-4-propoxyaniline?
The IUPAC name of N-hexan-2-yl-4-propoxyaniline (CID 21311820) is N-hexan-2-yl-4-propoxyaniline.
What is the SMILES notation for N-hexan-2-yl-4-propoxyaniline?
The canonical SMILES for N-hexan-2-yl-4-propoxyaniline is CCCCC(C)Nc1ccc(OCCC)cc1.
What is the InChIKey of N-hexan-2-yl-4-propoxyaniline?
The InChIKey is YFDYGNDROBYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-7-13(3)16-14-8-10-15(11-9-14)17-12-5-2/h8-11,13,16H,4-7,12H2,1-3H3.
What are the key properties of N-hexan-2-yl-4-propoxyaniline?
N-hexan-2-yl-4-propoxyaniline has a molecular weight of 235.37 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-4-propoxyaniline is sourced from PubChem (CID 21311820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).