N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide

C12H17BrClNO — CID 24746786

IUPACN-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide
SMILESBr.Clc1ccccc1CNCC1CCCO1
InChIInChI=1S/C12H16ClNO.BrH/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11;/h1-2,4,6,11,14H,3,5,7-9H2;1H
InChIKeySQJGYNBFUUELJJ-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.19
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide

N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide (PubChem CID 24746786) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide
PubChem CID24746786
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide
SMILESBr.Clc1ccccc1CNCC1CCCO1
InChIInChI=1S/C12H16ClNO.BrH/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11;/h1-2,4,6,11,14H,3,5,7-9H2;1H
InChIKeySQJGYNBFUUELJJ-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorobenzyl)tetrahydro-2-furancarboxamide
CID 2957283
1-(2,3-dichlorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine
CID 5109426
[(2E)-3-Phenyl-2-propen-1-yl](tetrahydro-2-furanylmethyl)amine hydrochloride
CID 6458174
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
(4-Chloro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746853
Benzylamine, 2,4-dichloro-N-(2-ethoxyethyl)-
CID 52317
4-(2-chlorobenzyl)-N-(tetrahydro-2-furanylmethyl)-1-piperazinecarbothioamide
CID 2957386
(2,4-Dichlorobenzyl)(tetrahydro-2-furanylmethyl)amine hydrochloride
CID 17371091
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156813
(2E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 5340098

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide (CID 24746786) is N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide is Br.Clc1ccccc1CNCC1CCCO1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide?
The InChIKey is SQJGYNBFUUELJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.BrH/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11;/h1-2,4,6,11,14H,3,5,7-9H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide?
N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide has a molecular weight of 306.63 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrobromide is sourced from PubChem (CID 24746786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).