N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride

C14H18ClNO2 — CID 71444012

IUPACN-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
SMILESCOc1ccc(NCCCc2ccco2)cc1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-16-13-8-6-12(7-9-13)15-10-2-4-14-5-3-11-17-14;/h3,5-9,11,15H,2,4,10H2,1H3;1H
InChIKeyIEXIWXZJNVSRBM-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.75
Rot. Bonds6

About N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride

N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride (PubChem CID 71444012) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
PubChem CID71444012
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
SMILESCOc1ccc(NCCCc2ccco2)cc1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-16-13-8-6-12(7-9-13)15-10-2-4-14-5-3-11-17-14;/h3,5-9,11,15H,2,4,10H2,1H3;1H
InChIKeyIEXIWXZJNVSRBM-UHFFFAOYSA-N
XLogP3.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline
CID 83963022
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
N-[2-(furan-2-yl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600435
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
CID 110315806
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993
N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
CID 110315822
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride?
The IUPAC name of N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride (CID 71444012) is N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride is COc1ccc(NCCCc2ccco2)cc1.Cl.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride?
The InChIKey is IEXIWXZJNVSRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-16-13-8-6-12(7-9-13)15-10-2-4-14-5-3-11-17-14;/h3,5-9,11,15H,2,4,10H2,1H3;1H.
What are the key properties of N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride?
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride is sourced from PubChem (CID 71444012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).