N-[(4-nonoxyphenyl)methoxy]methanamine

C17H29NO2 — CID 22967514

IUPACN-[(4-nonoxyphenyl)methoxy]methanamine
SMILESCCCCCCCCCOc1ccc(CONC)cc1
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-14-19-17-12-10-16(11-13-17)15-20-18-2/h10-13,18H,3-9,14-15H2,1-2H3
InChIKeyTWWWZWNWRGMJPE-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.47
Rot. Bonds12

About N-[(4-nonoxyphenyl)methoxy]methanamine

N-[(4-nonoxyphenyl)methoxy]methanamine (PubChem CID 22967514) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(4-nonoxyphenyl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(4-nonoxyphenyl)methoxy]methanamine
PubChem CID22967514
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(4-nonoxyphenyl)methoxy]methanamine
SMILESCCCCCCCCCOc1ccc(CONC)cc1
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-14-19-17-12-10-16(11-13-17)15-20-18-2/h10-13,18H,3-9,14-15H2,1-2H3
InChIKeyTWWWZWNWRGMJPE-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-hexoxy-4-(2-methoxyethoxymethyl)benzene
CID 90322136
(4-hexoxyphenyl)methyl-methanidyl-methylazanium
CID 59280756
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
4-hexoxy-N-methylaniline
CID 54803445
(4-decoxyphenyl)methanamine
CID 55187501
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
4-octadecoxyphenol
CID 22179059

Frequently Asked Questions

What is the IUPAC name of N-[(4-nonoxyphenyl)methoxy]methanamine?
The IUPAC name of N-[(4-nonoxyphenyl)methoxy]methanamine (CID 22967514) is N-[(4-nonoxyphenyl)methoxy]methanamine.
What is the SMILES notation for N-[(4-nonoxyphenyl)methoxy]methanamine?
The canonical SMILES for N-[(4-nonoxyphenyl)methoxy]methanamine is CCCCCCCCCOc1ccc(CONC)cc1.
What is the InChIKey of N-[(4-nonoxyphenyl)methoxy]methanamine?
The InChIKey is TWWWZWNWRGMJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-14-19-17-12-10-16(11-13-17)15-20-18-2/h10-13,18H,3-9,14-15H2,1-2H3.
What are the key properties of N-[(4-nonoxyphenyl)methoxy]methanamine?
N-[(4-nonoxyphenyl)methoxy]methanamine has a molecular weight of 279.42 g/mol, XLogP of 4.47, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nonoxyphenyl)methoxy]methanamine is sourced from PubChem (CID 22967514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).