(3,5-dibromo-4-propoxyphenyl)methanamine

C10H13Br2NO — CID 107741477

IUPAC(3,5-dibromo-4-propoxyphenyl)methanamine
SMILESCCCOc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5H,2-3,6,13H2,1H3
InChIKeyPLAVSKYNVRPONV-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.46
Rot. Bonds4

About (3,5-dibromo-4-propoxyphenyl)methanamine

(3,5-dibromo-4-propoxyphenyl)methanamine (PubChem CID 107741477) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is (3,5-dibromo-4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromo-4-propoxyphenyl)methanamine
PubChem CID107741477
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name(3,5-dibromo-4-propoxyphenyl)methanamine
SMILESCCCOc1c(Br)cc(CN)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5H,2-3,6,13H2,1H3
InChIKeyPLAVSKYNVRPONV-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-butoxypropan-2-ol
CID 107741471
[3,5-dibromo-4-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 107741554
[3,5-dibromo-4-[2-(4-bromophenoxy)ethoxy]phenyl]methanamine
CID 107741280
[3,5-dibromo-4-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 107741510
[3,5-dibromo-4-(3-phenoxypropoxy)phenyl]methanamine
CID 107741488
[3-bromo-4-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 54856586
1-[4-(aminomethyl)-2,6-dibromophenoxy]-2-methylpropan-2-ol
CID 107741378
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
CID 29223251
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine
CID 43622229

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-propoxyphenyl)methanamine?
The IUPAC name of (3,5-dibromo-4-propoxyphenyl)methanamine (CID 107741477) is (3,5-dibromo-4-propoxyphenyl)methanamine.
What is the SMILES notation for (3,5-dibromo-4-propoxyphenyl)methanamine?
The canonical SMILES for (3,5-dibromo-4-propoxyphenyl)methanamine is CCCOc1c(Br)cc(CN)cc1Br.
What is the InChIKey of (3,5-dibromo-4-propoxyphenyl)methanamine?
The InChIKey is PLAVSKYNVRPONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h4-5H,2-3,6,13H2,1H3.
What are the key properties of (3,5-dibromo-4-propoxyphenyl)methanamine?
(3,5-dibromo-4-propoxyphenyl)methanamine has a molecular weight of 323.03 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-propoxyphenyl)methanamine is sourced from PubChem (CID 107741477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).