N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine

C16H24BrNO — CID 62107147

IUPACN-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-16(2,3)18-10-15(19-11-12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15,18H,4-5,10-11H2,1-3H3
InChIKeyLEDMXRNATCAMMS-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine

N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 62107147) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID62107147
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-16(2,3)18-10-15(19-11-12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15,18H,4-5,10-11H2,1-3H3
InChIKeyLEDMXRNATCAMMS-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine
CID 66322694
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
1-bromo-4-[1-(cyclopentylmethoxy)-2-iodoethyl]benzene
CID 114774613
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine (CID 62107147) is N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(OCC1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is LEDMXRNATCAMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2,3)18-10-15(19-11-12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.30, 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-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62107147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).