4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine

C19H20ClNO2 — CID 56689586

IUPAC4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
SMILESClc1ccc(OCCCCNCc2ccco2)c2ccccc12
InChIInChI=1S/C19H20ClNO2/c20-18-9-10-19(17-8-2-1-7-16(17)18)23-12-4-3-11-21-14-15-6-5-13-22-15/h1-2,5-10,13,21H,3-4,11-12,14H2
InChIKeyRCJXPSNBSKDOEF-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.03
Rot. Bonds8

About 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine

4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine (PubChem CID 56689586) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
PubChem CID56689586
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine
SMILESClc1ccc(OCCCCNCc2ccco2)c2ccccc12
InChIInChI=1S/C19H20ClNO2/c20-18-9-10-19(17-8-2-1-7-16(17)18)23-12-4-3-11-21-14-15-6-5-13-22-15/h1-2,5-10,13,21H,3-4,11-12,14H2
InChIKeyRCJXPSNBSKDOEF-UHFFFAOYSA-N
XLogP5.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 55.03
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

N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435
N-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenoxy)propan-1-amine
CID 2364287
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
N-(furan-2-ylmethyl)-2-quinolin-5-yloxyethanamine
CID 103045894
3-(4-chloronaphthalen-1-yl)oxypropanal
CID 63040435
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine (CID 56689586) is 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine is Clc1ccc(OCCCCNCc2ccco2)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine?
The InChIKey is RCJXPSNBSKDOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-18-9-10-19(17-8-2-1-7-16(17)18)23-12-4-3-11-21-14-15-6-5-13-22-15/h1-2,5-10,13,21H,3-4,11-12,14H2.
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine?
4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine has a molecular weight of 329.83 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxy-N-(furan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 56689586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).