N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C15H17ClN2 — CID 810153

IUPACN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1Cn1cccc1CNC1CC1
InChIInChI=1S/C15H17ClN2/c16-15-6-2-1-4-12(15)11-18-9-3-5-14(18)10-17-13-7-8-13/h1-6,9,13,17H,7-8,10-11H2
InChIKeyDQHMTDKNFXYHSA-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.44
Rot. Bonds5

About N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 810153) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID810153
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1Cn1cccc1CNC1CC1
InChIInChI=1S/C15H17ClN2/c16-15-6-2-1-4-12(15)11-18-9-3-5-14(18)10-17-13-7-8-13/h1-6,9,13,17H,7-8,10-11H2
InChIKeyDQHMTDKNFXYHSA-UHFFFAOYSA-N
XLogP3.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 42761712
N-[[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402791
N-[[1-[(4-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403172
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402782
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66403372

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 810153) is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is Clc1ccccc1Cn1cccc1CNC1CC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is DQHMTDKNFXYHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-15-6-2-1-4-12(15)11-18-9-3-5-14(18)10-17-13-7-8-13/h1-6,9,13,17H,7-8,10-11H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 260.77 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 810153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).