N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine

C19H21ClN2 — CID 46967234

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESClc1ccc(C2(CN(Cc3ccccn3)C3CC3)CC2)cc1
InChIInChI=1S/C19H21ClN2/c20-16-6-4-15(5-7-16)19(10-11-19)14-22(18-8-9-18)13-17-3-1-2-12-21-17/h1-7,12,18H,8-11,13-14H2
InChIKeyWBGDPJCBSJZLNE-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.43
Rot. Bonds6

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine (PubChem CID 46967234) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
PubChem CID46967234
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESClc1ccc(C2(CN(Cc3ccccn3)C3CC3)CC2)cc1
InChIInChI=1S/C19H21ClN2/c20-16-6-4-15(5-7-16)19(10-11-19)14-22(18-8-9-18)13-17-3-1-2-12-21-17/h1-7,12,18H,8-11,13-14H2
InChIKeyWBGDPJCBSJZLNE-UHFFFAOYSA-N
XLogP4.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913060
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 134127818
N-[(R)-(4-chlorophenyl)-hydroxymethyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 71041743
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
6-chloro-3-[[cyclopropyl(pyridin-2-ylmethyl)amino]methyl]-1,3-benzoxazol-2-one
CID 90675982
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 99949243
3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
CID 150027753
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 131911633

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine (CID 46967234) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine is Clc1ccc(C2(CN(Cc3ccccn3)C3CC3)CC2)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The InChIKey is WBGDPJCBSJZLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c20-16-6-4-15(5-7-16)19(10-11-19)14-22(18-8-9-18)13-17-3-1-2-12-21-17/h1-7,12,18H,8-11,13-14H2.
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine has a molecular weight of 312.84 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 46967234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).