N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

C17H21Cl2N — CID 65009127

IUPACN-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(C2(CNC3CC3)CC3(CCC3)C2)cc1Cl
InChIInChI=1S/C17H21Cl2N/c18-14-5-2-12(8-15(14)19)17(11-20-13-3-4-13)9-16(10-17)6-1-7-16/h2,5,8,13,20H,1,3-4,6-7,9-11H2
InChIKeyNLHWPLIWOHPNPL-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.95
Rot. Bonds4

About N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (PubChem CID 65009127) has the molecular formula C17H21Cl2N and a molecular weight of 310.27 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
PubChem CID65009127
Molecular FormulaC17H21Cl2N
Molecular Weight310.27 g/mol
Exact Mass309.11
IUPAC NameN-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(C2(CNC3CC3)CC3(CCC3)C2)cc1Cl
InChIInChI=1S/C17H21Cl2N/c18-14-5-2-12(8-15(14)19)17(11-20-13-3-4-13)9-16(10-17)6-1-7-16/h2,5,8,13,20H,1,3-4,6-7,9-11H2
InChIKeyNLHWPLIWOHPNPL-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
N-[[1-(3,4-dichlorophenyl)cyclopent-3-en-1-yl]methyl]cyclopropanamine
CID 65353099
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424142
N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008561
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (CID 65009127) is N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is Clc1ccc(C2(CNC3CC3)CC3(CCC3)C2)cc1Cl.
What is the InChIKey of N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The InChIKey is NLHWPLIWOHPNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N/c18-14-5-2-12(8-15(14)19)17(11-20-13-3-4-13)9-16(10-17)6-1-7-16/h2,5,8,13,20H,1,3-4,6-7,9-11H2.
What are the key properties of N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine has a molecular weight of 310.27 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65009127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).