N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine

C15H14ClNO2 — CID 94074408

IUPACN-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESC#CCOc1ccc(Cl)cc1CNCc1ccco1
InChIInChI=1S/C15H14ClNO2/c1-2-7-19-15-6-5-13(16)9-12(15)10-17-11-14-4-3-8-18-14/h1,3-6,8-9,17H,7,10-11H2
InChIKeyYMGWLXOFBKFRAB-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.23
Rot. Bonds6

About N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine

N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 94074408) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine
PubChem CID94074408
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESC#CCOc1ccc(Cl)cc1CNCc1ccco1
InChIInChI=1S/C15H14ClNO2/c1-2-7-19-15-6-5-13(16)9-12(15)10-17-11-14-4-3-8-18-14/h1,3-6,8-9,17H,7,10-11H2
InChIKeyYMGWLXOFBKFRAB-UHFFFAOYSA-N
XLogP3.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine
CID 4723186
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17331689
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
1-(3-ethoxy-2-prop-2-ynoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 94074405
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331629
5-chloro-N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126123859
N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-2-ethylaniline
CID 126122492
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 4723222
1-(4-chloro-2-nitrophenyl)-N-(furan-2-ylmethyl)methanamine
CID 62100746
1-(3-chloro-4-fluorophenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 62539411
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine (CID 94074408) is N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine is C#CCOc1ccc(Cl)cc1CNCc1ccco1.
What is the InChIKey of N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is YMGWLXOFBKFRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-7-19-15-6-5-13(16)9-12(15)10-17-11-14-4-3-8-18-14/h1,3-6,8-9,17H,7,10-11H2.
What are the key properties of N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 275.74 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 94074408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).