N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine

C17H21ClN2O — CID 106930200

IUPACN-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc2c(CNC3CC3)cn(COCC3CC3)c2c1
InChIInChI=1S/C17H21ClN2O/c18-14-3-6-16-13(8-19-15-4-5-15)9-20(17(16)7-14)11-21-10-12-1-2-12/h3,6-7,9,12,15,19H,1-2,4-5,8,10-11H2
InChIKeyZONONHWATUKUHZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.93
Rot. Bonds7

About N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine

N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine (PubChem CID 106930200) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
PubChem CID106930200
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc2c(CNC3CC3)cn(COCC3CC3)c2c1
InChIInChI=1S/C17H21ClN2O/c18-14-3-6-16-13(8-19-15-4-5-15)9-20(17(16)7-14)11-21-10-12-1-2-12/h3,6-7,9,12,15,19H,1-2,4-5,8,10-11H2
InChIKeyZONONHWATUKUHZ-UHFFFAOYSA-N
XLogP3.93
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol
CID 106930114
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828
N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 66401135
3-[(cyclobutylamino)methyl]-1-ethylindol-6-amine
CID 117178816
1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
CID 103411335
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
CID 117177526
N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
CID 59494429
N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine
CID 58171024
N-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopentanamine
CID 117175445
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine (CID 106930200) is N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine is Clc1ccc2c(CNC3CC3)cn(COCC3CC3)c2c1.
What is the InChIKey of N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
The InChIKey is ZONONHWATUKUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-14-3-6-16-13(8-19-15-4-5-15)9-20(17(16)7-14)11-21-10-12-1-2-12/h3,6-7,9,12,15,19H,1-2,4-5,8,10-11H2.
What are the key properties of N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine?
N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine has a molecular weight of 304.82 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106930200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).