N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine

C11H14BrNO — CID 166967466

IUPACN-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine
SMILESC=C(COC)NCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-9(8-14-2)13-7-10-4-3-5-11(12)6-10/h3-6,13H,1,7-8H2,2H3
InChIKeyMMYQQULTGKVURT-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.70
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine

N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine (PubChem CID 166967466) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine
PubChem CID166967466
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine
SMILESC=C(COC)NCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-9(8-14-2)13-7-10-4-3-5-11(12)6-10/h3-6,13H,1,7-8H2,2H3
InChIKeyMMYQQULTGKVURT-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
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(Z)-N-[(3-bromophenyl)methyl]-2-methylpent-2-enamide
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2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
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CID 56923497
2-methylpropyl N-[(3-bromophenyl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine (CID 166967466) is N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine is C=C(COC)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine?
The InChIKey is MMYQQULTGKVURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-9(8-14-2)13-7-10-4-3-5-11(12)6-10/h3-6,13H,1,7-8H2,2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine?
N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine has a molecular weight of 256.14 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-methoxyprop-1-en-2-amine is sourced from PubChem (CID 166967466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).