N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine

C14H15ClFNO — CID 81454359

IUPACN-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(16)13(10)15/h3-7,9,14,17H,2,8H2,1H3
InChIKeyNVXAYJVSQGUCNC-UHFFFAOYSA-N
MW267.73 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine

N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 81454359) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID81454359
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(16)13(10)15/h3-7,9,14,17H,2,8H2,1H3
InChIKeyNVXAYJVSQGUCNC-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(2-chloro-3-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 81453511
N-[(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791844
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine (CID 81454359) is N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is NVXAYJVSQGUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(16)13(10)15/h3-7,9,14,17H,2,8H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 267.73 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81454359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).