N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine

C17H26BrNO — CID 82832195

IUPACN-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C17H26BrNO/c1-16(2,3)19-13-17(10-4-5-11-17)20-12-14-6-8-15(18)9-7-14/h6-9,19H,4-5,10-13H2,1-3H3
InChIKeyWBXSYTLPWKFVEP-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.67
Rot. Bonds5

About N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine

N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine (PubChem CID 82832195) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
PubChem CID82832195
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(OCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C17H26BrNO/c1-16(2,3)19-13-17(10-4-5-11-17)20-12-14-6-8-15(18)9-7-14/h6-9,19H,4-5,10-13H2,1-3H3
InChIKeyWBXSYTLPWKFVEP-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 82831812
1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
CID 82831281
N-[[1-[(4-bromophenyl)methoxy]cycloheptyl]methyl]propan-1-amine
CID 82805528
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
N-[[1-[(4-bromophenyl)methoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 82831969
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 62108400
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63507679

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine (CID 82832195) is N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(OCc2ccc(Br)cc2)CCCC1.
What is the InChIKey of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WBXSYTLPWKFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-16(2,3)19-13-17(10-4-5-11-17)20-12-14-6-8-15(18)9-7-14/h6-9,19H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82832195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).