[3-(3-hexoxypropoxy)phenyl]methanamine

C16H27NO2 — CID 43254403

IUPAC[3-(3-hexoxypropoxy)phenyl]methanamine
SMILESCCCCCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-10-18-11-7-12-19-16-9-6-8-15(13-16)14-17/h6,8-9,13H,2-5,7,10-12,14,17H2,1H3
InChIKeyJAGMIVSKGANLDK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.51
Rot. Bonds11

About [3-(3-hexoxypropoxy)phenyl]methanamine

[3-(3-hexoxypropoxy)phenyl]methanamine (PubChem CID 43254403) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [3-(3-hexoxypropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-hexoxypropoxy)phenyl]methanamine
PubChem CID43254403
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name[3-(3-hexoxypropoxy)phenyl]methanamine
SMILESCCCCCCOCCCOc1cccc(CN)c1
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-10-18-11-7-12-19-16-9-6-8-15(13-16)14-17/h6,8-9,13H,2-5,7,10-12,14,17H2,1H3
InChIKeyJAGMIVSKGANLDK-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
1-[3-(aminomethyl)phenoxy]-3-heptoxypropan-2-ol
CID 43531590
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
2-[3-[5-[3-(aminomethyl)phenoxy]pentoxy]propoxy]acetic acid;hydrochloride
CID 168970123
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
1,3-dihexadecoxybenzene
CID 12686834
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589

Frequently Asked Questions

What is the IUPAC name of [3-(3-hexoxypropoxy)phenyl]methanamine?
The IUPAC name of [3-(3-hexoxypropoxy)phenyl]methanamine (CID 43254403) is [3-(3-hexoxypropoxy)phenyl]methanamine.
What is the SMILES notation for [3-(3-hexoxypropoxy)phenyl]methanamine?
The canonical SMILES for [3-(3-hexoxypropoxy)phenyl]methanamine is CCCCCCOCCCOc1cccc(CN)c1.
What is the InChIKey of [3-(3-hexoxypropoxy)phenyl]methanamine?
The InChIKey is JAGMIVSKGANLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-4-5-10-18-11-7-12-19-16-9-6-8-15(13-16)14-17/h6,8-9,13H,2-5,7,10-12,14,17H2,1H3.
What are the key properties of [3-(3-hexoxypropoxy)phenyl]methanamine?
[3-(3-hexoxypropoxy)phenyl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hexoxypropoxy)phenyl]methanamine is sourced from PubChem (CID 43254403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).