N-octan-4-ylaniline

C14H23N — CID 12779854

IUPACN-octan-4-ylaniline
SMILESCCCCC(CCC)Nc1ccccc1
InChIInChI=1S/C14H23N/c1-3-5-10-13(9-4-2)15-14-11-7-6-8-12-14/h6-8,11-13,15H,3-5,9-10H2,1-2H3
InChIKeyWJQHZXNPBAHESK-UHFFFAOYSA-N
MW205.35 g/mol
LogP4.46
Rot. Bonds7

About N-octan-4-ylaniline

N-octan-4-ylaniline (PubChem CID 12779854) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-octan-4-ylaniline.

Molecular Properties

Compound NameN-octan-4-ylaniline
PubChem CID12779854
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-octan-4-ylaniline
SMILESCCCCC(CCC)Nc1ccccc1
InChIInChI=1S/C14H23N/c1-3-5-10-13(9-4-2)15-14-11-7-6-8-12-14/h6-8,11-13,15H,3-5,9-10H2,1-2H3
InChIKeyWJQHZXNPBAHESK-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tridecan-6-ylaniline
CID 151143089
4-methyl-N-octan-4-ylaniline
CID 12779858
N-undecan-3-ylaniline
CID 171755615
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032
(2S)-2-anilinooctan-1-ol
CID 135056963
1-N,2-N-diphenyldodecane-1,2-diamine
CID 10784226
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
4-(octan-4-ylamino)benzenecarbothioamide
CID 114138123
3-nitro-N-octan-4-ylaniline
CID 106026343
N-heptan-4-yl-4-pentylaniline
CID 63421629
N-decan-4-yl-4-[[4-(decan-4-ylamino)phenyl]disulfanyl]aniline
CID 88842040

Frequently Asked Questions

What is the IUPAC name of N-octan-4-ylaniline?
The IUPAC name of N-octan-4-ylaniline (CID 12779854) is N-octan-4-ylaniline.
What is the SMILES notation for N-octan-4-ylaniline?
The canonical SMILES for N-octan-4-ylaniline is CCCCC(CCC)Nc1ccccc1.
What is the InChIKey of N-octan-4-ylaniline?
The InChIKey is WJQHZXNPBAHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-5-10-13(9-4-2)15-14-11-7-6-8-12-14/h6-8,11-13,15H,3-5,9-10H2,1-2H3.
What are the key properties of N-octan-4-ylaniline?
N-octan-4-ylaniline has a molecular weight of 205.35 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-ylaniline is sourced from PubChem (CID 12779854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).