(3-octan-4-ylphenyl)methanamine

C15H25N — CID 142098371

IUPAC(3-octan-4-ylphenyl)methanamine
SMILESCCCCC(CCC)c1cccc(CN)c1
InChIInChI=1S/C15H25N/c1-3-5-9-14(7-4-2)15-10-6-8-13(11-15)12-16/h6,8,10-11,14H,3-5,7,9,12,16H2,1-2H3
InChIKeyXZVJXJQGSKLIFD-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.22
Rot. Bonds7

About (3-octan-4-ylphenyl)methanamine

(3-octan-4-ylphenyl)methanamine (PubChem CID 142098371) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3-octan-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-octan-4-ylphenyl)methanamine
PubChem CID142098371
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3-octan-4-ylphenyl)methanamine
SMILESCCCCC(CCC)c1cccc(CN)c1
InChIInChI=1S/C15H25N/c1-3-5-9-14(7-4-2)15-10-6-8-13(11-15)12-16/h6,8,10-11,14H,3-5,7,9,12,16H2,1-2H3
InChIKeyXZVJXJQGSKLIFD-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[3-(aminomethyl)phenyl]-4-methylideneundecanamide
CID 142098297
3-octan-4-ylphenol
CID 54137408
3-(1-aminoheptan-4-yl)phenol
CID 83930253
(4-dodecan-6-ylphenyl)methanamine
CID 130348260
methyl 6-(3-octan-4-ylphenyl)hexanoate
CID 143689376
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(aminomethyl)phenyl]-propoxymethanol
CID 143382418
3-(3-heptan-3-ylphenyl)propanal
CID 155690788
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
3-(1-fluorooctan-4-yl)phenol
CID 145284154
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956

Frequently Asked Questions

What is the IUPAC name of (3-octan-4-ylphenyl)methanamine?
The IUPAC name of (3-octan-4-ylphenyl)methanamine (CID 142098371) is (3-octan-4-ylphenyl)methanamine.
What is the SMILES notation for (3-octan-4-ylphenyl)methanamine?
The canonical SMILES for (3-octan-4-ylphenyl)methanamine is CCCCC(CCC)c1cccc(CN)c1.
What is the InChIKey of (3-octan-4-ylphenyl)methanamine?
The InChIKey is XZVJXJQGSKLIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-5-9-14(7-4-2)15-10-6-8-13(11-15)12-16/h6,8,10-11,14H,3-5,7,9,12,16H2,1-2H3.
What are the key properties of (3-octan-4-ylphenyl)methanamine?
(3-octan-4-ylphenyl)methanamine has a molecular weight of 219.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-octan-4-ylphenyl)methanamine is sourced from PubChem (CID 142098371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).