N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride

C18H23Cl2NO — CID 17332202

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNC3CCCCCC3)o2)c1
InChIInChI=1S/C18H22ClNO.ClH/c19-15-7-5-6-14(12-15)18-11-10-17(21-18)13-20-16-8-3-1-2-4-9-16;/h5-7,10-12,16,20H,1-4,8-9,13H2;1H
InChIKeyBZOSSHXQLONDCJ-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.83
Rot. Bonds4

About N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride (PubChem CID 17332202) has the molecular formula C18H23Cl2NO and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
PubChem CID17332202
Molecular FormulaC18H23Cl2NO
Molecular Weight340.29 g/mol
Exact Mass339.12
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNC3CCCCCC3)o2)c1
InChIInChI=1S/C18H22ClNO.ClH/c19-15-7-5-6-14(12-15)18-11-10-17(21-18)13-20-16-8-3-1-2-4-9-16;/h5-7,10-12,16,20H,1-4,8-9,13H2;1H
InChIKeyBZOSSHXQLONDCJ-UHFFFAOYSA-N
XLogP5.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 42278713
[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
CID 8622800
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
3-[5-[(cyclopropylamino)methyl]furan-2-yl]benzonitrile
CID 106886767
N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 107577110
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215859
N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 54955493
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639511
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]adamantan-1-amine
CID 4723694
4-chloro-3-[5-[(cyclohexylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212895
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride (CID 17332202) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride is Cl.Clc1cccc(-c2ccc(CNC3CCCCCC3)o2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride?
The InChIKey is BZOSSHXQLONDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO.ClH/c19-15-7-5-6-14(12-15)18-11-10-17(21-18)13-20-16-8-3-1-2-4-9-16;/h5-7,10-12,16,20H,1-4,8-9,13H2;1H.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride has a molecular weight of 340.29 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride is sourced from PubChem (CID 17332202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).