N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine

C18H28BrNO — CID 63475506

IUPACN-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
SMILESCC1CCC(OC(CNC(C)C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H28BrNO/c1-13(2)20-12-18(15-6-8-16(19)9-7-15)21-17-10-4-14(3)5-11-17/h6-9,13-14,17-18,20H,4-5,10-12H2,1-3H3
InChIKeyFMOAGFTUNFAZDM-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.08
Rot. Bonds6

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

N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine (PubChem CID 63475506) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
PubChem CID63475506
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
SMILESCC1CCC(OC(CNC(C)C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H28BrNO/c1-13(2)20-12-18(15-6-8-16(19)9-7-15)21-17-10-4-14(3)5-11-17/h6-9,13-14,17-18,20H,4-5,10-12H2,1-3H3
InChIKeyFMOAGFTUNFAZDM-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
CID 62108098
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
CID 104819466
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560
N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 63474259
N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
CID 62106452
2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 55015654
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine (CID 63475506) is N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine is CC1CCC(OC(CNC(C)C)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine?
The InChIKey is FMOAGFTUNFAZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-13(2)20-12-18(15-6-8-16(19)9-7-15)21-17-10-4-14(3)5-11-17/h6-9,13-14,17-18,20H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine?
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine has a molecular weight of 354.33 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine is sourced from PubChem (CID 63475506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).