N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine

C18H21ClN2 — CID 79723423

IUPACN-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
SMILESCCc1ccc(Cc2ccc(Cl)cc2CNC2CC2)nc1
InChIInChI=1S/C18H21ClN2/c1-2-13-3-6-18(20-11-13)10-14-4-5-16(19)9-15(14)12-21-17-7-8-17/h3-6,9,11,17,21H,2,7-8,10,12H2,1H3
InChIKeyVDXSGLGXRDUQQX-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.14
Rot. Bonds6

About N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 79723423) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID79723423
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
SMILESCCc1ccc(Cc2ccc(Cl)cc2CNC2CC2)nc1
InChIInChI=1S/C18H21ClN2/c1-2-13-3-6-18(20-11-13)10-14-4-5-16(19)9-15(14)12-21-17-7-8-17/h3-6,9,11,17,21H,2,7-8,10,12H2,1H3
InChIKeyVDXSGLGXRDUQQX-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
CID 79723425
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
CID 66158934
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852
5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
CID 79738374
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
CID 79740597
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[(2,4-dichlorophenyl)methyl]-1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 68963336
1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
CID 105409110
3-chloro-4-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 114076462

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine (CID 79723423) is N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine is CCc1ccc(Cc2ccc(Cl)cc2CNC2CC2)nc1.
What is the InChIKey of N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is VDXSGLGXRDUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-2-13-3-6-18(20-11-13)10-14-4-5-16(19)9-15(14)12-21-17-7-8-17/h3-6,9,11,17,21H,2,7-8,10,12H2,1H3.
What are the key properties of N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 300.83 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79723423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).