(4-decoxyphenyl)methanamine

C17H29NO — CID 55187501

IUPAC(4-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1ccc(CN)cc1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13H,2-9,14-15,18H2,1H3
InChIKeyBBCGSUDNUIDMOD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.66
Rot. Bonds11

About (4-decoxyphenyl)methanamine

(4-decoxyphenyl)methanamine (PubChem CID 55187501) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (4-decoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-decoxyphenyl)methanamine
PubChem CID55187501
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(4-decoxyphenyl)methanamine
SMILESCCCCCCCCCCOc1ccc(CN)cc1
InChIInChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13H,2-9,14-15,18H2,1H3
InChIKeyBBCGSUDNUIDMOD-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
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

[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119

Frequently Asked Questions

What is the IUPAC name of (4-decoxyphenyl)methanamine?
The IUPAC name of (4-decoxyphenyl)methanamine (CID 55187501) is (4-decoxyphenyl)methanamine.
What is the SMILES notation for (4-decoxyphenyl)methanamine?
The canonical SMILES for (4-decoxyphenyl)methanamine is CCCCCCCCCCOc1ccc(CN)cc1.
What is the InChIKey of (4-decoxyphenyl)methanamine?
The InChIKey is BBCGSUDNUIDMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-14-19-17-12-10-16(15-18)11-13-17/h10-13H,2-9,14-15,18H2,1H3.
What are the key properties of (4-decoxyphenyl)methanamine?
(4-decoxyphenyl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-decoxyphenyl)methanamine is sourced from PubChem (CID 55187501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).