1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine

C13H18BrNO — CID 106931250

IUPAC1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine
SMILESNC(COCC1CC1)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c14-12-3-1-2-11(6-12)7-13(15)9-16-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9,15H2
InChIKeyHRMNSYKBSHXDDR-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.75
Rot. Bonds6

About 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine

1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine (PubChem CID 106931250) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine
PubChem CID106931250
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine
SMILESNC(COCC1CC1)Cc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c14-12-3-1-2-11(6-12)7-13(15)9-16-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9,15H2
InChIKeyHRMNSYKBSHXDDR-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-cycloheptylpropan-2-amine
CID 114458146
1-(3-bromophenyl)-3-(thian-4-yl)propan-2-amine
CID 105089697
N-[(3-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653164
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
CID 82307455
1-(3-bromoanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898174
1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62601843
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66476339
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
1-(3-bromophenyl)-3-ethoxybutan-2-amine
CID 64540486

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine (CID 106931250) is 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine is NC(COCC1CC1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine?
The InChIKey is HRMNSYKBSHXDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-3-1-2-11(6-12)7-13(15)9-16-8-10-4-5-10/h1-3,6,10,13H,4-5,7-9,15H2.
What are the key properties of 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine?
1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine is sourced from PubChem (CID 106931250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).