2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine

C14H20BrNO — CID 106930574

IUPAC2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESNCC(COCC1CC1)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c15-14-4-2-1-3-13(14)7-12(8-16)10-17-9-11-5-6-11/h1-4,11-12H,5-10,16H2
InChIKeyVDTGNPGBUWZAKT-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.99
Rot. Bonds7

About 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine

2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine (PubChem CID 106930574) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
PubChem CID106930574
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESNCC(COCC1CC1)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c15-14-4-2-1-3-13(14)7-12(8-16)10-17-9-11-5-6-11/h1-4,11-12H,5-10,16H2
InChIKeyVDTGNPGBUWZAKT-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 106930572
1-[2-(chloromethyl)-3-(cyclopropylmethoxy)propyl]-2-methylbenzene
CID 106931346
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984194
2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
CID 115984179
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol
CID 106931287
2-[(2-bromophenyl)methyl]-4-phenylsulfanylbutan-1-amine
CID 79227973
1-bromo-2-[2-(bromomethyl)-3-methoxypropyl]benzene
CID 103985183
2-[(2-bromophenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195597
1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine
CID 106931250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine (CID 106930574) is 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine is NCC(COCC1CC1)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The InChIKey is VDTGNPGBUWZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-14-4-2-1-3-13(14)7-12(8-16)10-17-9-11-5-6-11/h1-4,11-12H,5-10,16H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine is sourced from PubChem (CID 106930574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).