N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine

C18H26BrNO — CID 63474611

IUPACN-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
SMILESCC1CCC(OC(CNC2CC2)c2ccccc2Br)CC1
InChIInChI=1S/C18H26BrNO/c1-13-6-10-15(11-7-13)21-18(12-20-14-8-9-14)16-4-2-3-5-17(16)19/h2-5,13-15,18,20H,6-12H2,1H3
InChIKeyDXSBKJBLDVYVFH-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.84
Rot. Bonds6

About N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine

N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine (PubChem CID 63474611) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
PubChem CID63474611
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
SMILESCC1CCC(OC(CNC2CC2)c2ccccc2Br)CC1
InChIInChI=1S/C18H26BrNO/c1-13-6-10-15(11-7-13)21-18(12-20-14-8-9-14)16-4-2-3-5-17(16)19/h2-5,13-15,18,20H,6-12H2,1H3
InChIKeyDXSBKJBLDVYVFH-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63476222
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
CID 64732436
N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63475552
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
N-[2-(2-bromophenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730256
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377
2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine
CID 55019101

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine (CID 63474611) is N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine is CC1CCC(OC(CNC2CC2)c2ccccc2Br)CC1.
What is the InChIKey of N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine?
The InChIKey is DXSBKJBLDVYVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-13-6-10-15(11-7-13)21-18(12-20-14-8-9-14)16-4-2-3-5-17(16)19/h2-5,13-15,18,20H,6-12H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine?
N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine has a molecular weight of 352.32 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine is sourced from PubChem (CID 63474611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).