[4-(3-pentoxypropoxy)phenyl]methanamine

C15H25NO2 — CID 43275017

IUPAC[4-(3-pentoxypropoxy)phenyl]methanamine
SMILESCCCCCOCCCOc1ccc(CN)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-10-17-11-5-12-18-15-8-6-14(13-16)7-9-15/h6-9H,2-5,10-13,16H2,1H3
InChIKeyRYYRFQNSIBLCGK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.12
Rot. Bonds10

About [4-(3-pentoxypropoxy)phenyl]methanamine

[4-(3-pentoxypropoxy)phenyl]methanamine (PubChem CID 43275017) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-(3-pentoxypropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-pentoxypropoxy)phenyl]methanamine
PubChem CID43275017
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[4-(3-pentoxypropoxy)phenyl]methanamine
SMILESCCCCCOCCCOc1ccc(CN)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-10-17-11-5-12-18-15-8-6-14(13-16)7-9-15/h6-9H,2-5,10-13,16H2,1H3
InChIKeyRYYRFQNSIBLCGK-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.12
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

[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
(4-decoxyphenyl)methanamine
CID 55187501
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
[3-(3-hexoxypropoxy)phenyl]methanamine
CID 43254403
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
1,4-dipentoxybenzene
CID 18314717
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
4-(2-pentoxyethoxy)aniline
CID 43274923

Frequently Asked Questions

What is the IUPAC name of [4-(3-pentoxypropoxy)phenyl]methanamine?
The IUPAC name of [4-(3-pentoxypropoxy)phenyl]methanamine (CID 43275017) is [4-(3-pentoxypropoxy)phenyl]methanamine.
What is the SMILES notation for [4-(3-pentoxypropoxy)phenyl]methanamine?
The canonical SMILES for [4-(3-pentoxypropoxy)phenyl]methanamine is CCCCCOCCCOc1ccc(CN)cc1.
What is the InChIKey of [4-(3-pentoxypropoxy)phenyl]methanamine?
The InChIKey is RYYRFQNSIBLCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-10-17-11-5-12-18-15-8-6-14(13-16)7-9-15/h6-9H,2-5,10-13,16H2,1H3.
What are the key properties of [4-(3-pentoxypropoxy)phenyl]methanamine?
[4-(3-pentoxypropoxy)phenyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pentoxypropoxy)phenyl]methanamine is sourced from PubChem (CID 43275017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).