N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine

C14H20BrNO — CID 112620448

IUPACN-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1c(C)cc(Br)cc1CNC1CC1
InChIInChI=1S/C14H20BrNO/c1-3-6-17-14-10(2)7-12(15)8-11(14)9-16-13-4-5-13/h7-8,13,16H,3-6,9H2,1-2H3
InChIKeyFUHXPNUIKXHKNL-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.80
Rot. Bonds6

About N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine

N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine (PubChem CID 112620448) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine
PubChem CID112620448
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1c(C)cc(Br)cc1CNC1CC1
InChIInChI=1S/C14H20BrNO/c1-3-6-17-14-10(2)7-12(15)8-11(14)9-16-13-4-5-13/h7-8,13,16H,3-6,9H2,1-2H3
InChIKeyFUHXPNUIKXHKNL-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
CID 29225012
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
N-[(5-bromo-3-methyl-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 112620424
N-[[5-bromo-3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 115961576
2-[4-bromo-2-[(cyclopropylamino)methyl]-6-methylphenoxy]cyclopentan-1-ol
CID 115961626
N-[(5-bromo-3-methyl-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 171919480
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
1-(5-bromo-3-methyl-2-octoxyphenyl)-N-methylmethanamine
CID 115960948
4-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62320717
N-[[5-bromo-3-methyl-2-(2-propoxyethoxy)phenyl]methyl]propan-2-amine
CID 106450662
tert-butyl 4-[(5-bromo-2-methoxy-3-methylphenyl)methylamino]piperidine-1-carboxylate
CID 171919434

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine (CID 112620448) is N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine is CCCOc1c(C)cc(Br)cc1CNC1CC1.
What is the InChIKey of N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
The InChIKey is FUHXPNUIKXHKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-6-17-14-10(2)7-12(15)8-11(14)9-16-13-4-5-13/h7-8,13,16H,3-6,9H2,1-2H3.
What are the key properties of N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine?
N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine has a molecular weight of 298.22 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 112620448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).