N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine

C16H21NO2 — CID 16614204

IUPACN-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
SMILESCc1ccccc1OCCCCNCc1ccco1
InChIInChI=1S/C16H21NO2/c1-14-7-2-3-9-16(14)19-11-5-4-10-17-13-15-8-6-12-18-15/h2-3,6-9,12,17H,4-5,10-11,13H2,1H3
InChIKeyFHIIVXXQRVOAMX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.54
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine

N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine (PubChem CID 16614204) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
PubChem CID16614204
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
SMILESCc1ccccc1OCCCCNCc1ccco1
InChIInChI=1S/C16H21NO2/c1-14-7-2-3-9-16(14)19-11-5-4-10-17-13-15-8-6-12-18-15/h2-3,6-9,12,17H,4-5,10-11,13H2,1H3
InChIKeyFHIIVXXQRVOAMX-UHFFFAOYSA-N
XLogP3.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.54
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-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
CID 56689586
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54810139
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine (CID 16614204) is N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine is Cc1ccccc1OCCCCNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine?
The InChIKey is FHIIVXXQRVOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-14-7-2-3-9-16(14)19-11-5-4-10-17-13-15-8-6-12-18-15/h2-3,6-9,12,17H,4-5,10-11,13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine?
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine is sourced from PubChem (CID 16614204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).