N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine

C14H19BrClNO — CID 55146050

IUPACN-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Cl)COc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C14H19BrClNO/c1-10(16)9-18-13-6-5-11(7-12(13)15)8-17-14(2,3)4/h5-7,17H,1,8-9H2,2-4H3
InChIKeyUGNBGBXWKDCCDV-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.47
Rot. Bonds5

About N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 55146050) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID55146050
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC NameN-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Cl)COc1ccc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C14H19BrClNO/c1-10(16)9-18-13-6-5-11(7-12(13)15)8-17-14(2,3)4/h5-7,17H,1,8-9H2,2-4H3
InChIKeyUGNBGBXWKDCCDV-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
1-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63061654
2-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]ethanol
CID 63063539
N-[[3-chloro-4-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 66044236
N-[[3-bromo-4-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64552489
2-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]acetonitrile
CID 55146051
3-[2-bromo-4-[(tert-butylamino)methyl]phenoxy]propanamide
CID 63063890
N-[[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114524795
N-[[3-bromo-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63062502
N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062322
N-[[3-bromo-4-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63190499
N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 81145811

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 55146050) is N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine is C=C(Cl)COc1ccc(CNC(C)(C)C)cc1Br.
What is the InChIKey of N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UGNBGBXWKDCCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-10(16)9-18-13-6-5-11(7-12(13)15)8-17-14(2,3)4/h5-7,17H,1,8-9H2,2-4H3.
What are the key properties of N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 332.67 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55146050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).