N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine

C18H28BrNO — CID 63507679

IUPACN-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CCOc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C18H28BrNO/c1-17(2,3)20-14-18(10-4-5-11-18)12-13-21-16-8-6-15(19)7-9-16/h6-9,20H,4-5,10-14H2,1-3H3
InChIKeyUSZFQQKPSKKDTF-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.17
Rot. Bonds6

About N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine

N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine (PubChem CID 63507679) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
PubChem CID63507679
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CCOc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C18H28BrNO/c1-17(2,3)20-14-18(10-4-5-11-18)12-13-21-16-8-6-15(19)7-9-16/h6-9,20H,4-5,10-14H2,1-3H3
InChIKeyUSZFQQKPSKKDTF-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
N-[[1-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63508363
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63510236
4-(4-bromophenoxy)-N-tert-butyl-2,2-diethylbutan-1-amine
CID 63507256
N-[[3-[2-(4-bromophenoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719737
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
N-[2-(4-bromophenoxy)ethyl]-3-methylpentan-3-amine
CID 106328670
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82832195

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine (CID 63507679) is N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(CCOc2ccc(Br)cc2)CCCC1.
What is the InChIKey of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The InChIKey is USZFQQKPSKKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-17(2,3)20-14-18(10-4-5-11-18)12-13-21-16-8-6-15(19)7-9-16/h6-9,20H,4-5,10-14H2,1-3H3.
What are the key properties of N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine has a molecular weight of 354.33 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63507679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).