N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline

C14H22BrNO — CID 65012537

IUPACN-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline
SMILESCCCC(CBr)CN(C)c1ccccc1OC
InChIInChI=1S/C14H22BrNO/c1-4-7-12(10-15)11-16(2)13-8-5-6-9-14(13)17-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyRRTZECAHPQICGW-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.94
Rot. Bonds7

About N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline

N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline (PubChem CID 65012537) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline
PubChem CID65012537
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline
SMILESCCCC(CBr)CN(C)c1ccccc1OC
InChIInChI=1S/C14H22BrNO/c1-4-7-12(10-15)11-16(2)13-8-5-6-9-14(13)17-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3
InChIKeyRRTZECAHPQICGW-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-methoxyphenyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62041445
2-methoxy-N-methyl-N-propylaniline
CID 23198488
5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101758
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
CID 114228743
1-cyclopropyl-N-ethyl-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 63914549
3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
CID 64536348
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 62619697
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
3-[2-(bromomethyl)pentyl-methylamino]benzonitrile
CID 65013046
1-[2-(bromomethyl)-5-methylhexyl]-2-methoxybenzene
CID 66041959
1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline (CID 65012537) is N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline is CCCC(CBr)CN(C)c1ccccc1OC.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline?
The InChIKey is RRTZECAHPQICGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-7-12(10-15)11-16(2)13-8-5-6-9-14(13)17-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline?
N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline has a molecular weight of 300.24 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 65012537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).